(1,1-difluoro-2-methylpropyl)cyclopropane;1,2-difluoro-3-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclopropane;(1-fluoro-2-methylpropyl)cyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclopropane

C57H104F10O — CID 157156792

IUPAC(1,1-difluoro-2-methylpropyl)cyclopropane;1,2-difluoro-3-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclopropane;(1-fluoro-2-methylpropyl)cyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclopropane
SMILESCC(C)C(F)(F)C1CC1.CC(C)C(F)C1CC1.CC(C)CC1(F)CC1.CC(C)CC1C(F)(F)C1(F)F.CC(C)CC1C(F)C1F.CC(C)CC1CC1.CC(C)CC1CCC1.CC(C)CC1COC1
InChIInChI=1S/C8H16.C7H10F4.2C7H12F2.2C7H13F.C7H14O.C7H14/c1-7(2)6-8-4-3-5-8;1-4(2)3-5-6(8,9)7(5,10)11;1-5(2)7(8,9)6-3-4-6;1-4(2)3-5-6(8)7(5)9;1-6(2)5-7(8)3-4-7;1-5(2)7(8)6-3-4-6;1-6(2)3-7-4-8-5-7;1-6(2)5-7-3-4-7/h7-8H,3-6H2,1-2H3;4-5H,3H2,1-2H3;5-6H,3-4H2,1-2H3;4-7H,3H2,1-2H3;6H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyALXCIQYORFLNEW-UHFFFAOYSA-N
MW995.44 g/mol
LogP19.84
Rot. Bonds16

About (1,1-difluoro-2-methylpropyl)cyclopropane;1,2-difluoro-3-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclopropane;(1-fluoro-2-methylpropyl)cyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclopropane

(1,1-difluoro-2-methylpropyl)cyclopropane;1,2-difluoro-3-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclopropane;(1-fluoro-2-methylpropyl)cyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclopropane (PubChem CID 157156792) has the molecular formula C57H104F10O and a molecular weight of 995.44 g/mol. Its IUPAC name is (1,1-difluoro-2-methylpropyl)cyclopropane;1,2-difluoro-3-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclopropane;(1-fluoro-2-methylpropyl)cyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclopropane.

Molecular Properties

Compound Name(1,1-difluoro-2-methylpropyl)cyclopropane;1,2-difluoro-3-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclopropane;(1-fluoro-2-methylpropyl)cyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclopropane
PubChem CID157156792
Molecular FormulaC57H104F10O
Molecular Weight995.44 g/mol
Exact Mass994.79
IUPAC Name(1,1-difluoro-2-methylpropyl)cyclopropane;1,2-difluoro-3-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclopropane;(1-fluoro-2-methylpropyl)cyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclopropane
SMILESCC(C)C(F)(F)C1CC1.CC(C)C(F)C1CC1.CC(C)CC1(F)CC1.CC(C)CC1C(F)(F)C1(F)F.CC(C)CC1C(F)C1F.CC(C)CC1CC1.CC(C)CC1CCC1.CC(C)CC1COC1
InChIInChI=1S/C8H16.C7H10F4.2C7H12F2.2C7H13F.C7H14O.C7H14/c1-7(2)6-8-4-3-5-8;1-4(2)3-5-6(8,9)7(5,10)11;1-5(2)7(8,9)6-3-4-6;1-4(2)3-5-6(8)7(5)9;1-6(2)5-7(8)3-4-7;1-5(2)7(8)6-3-4-6;1-6(2)3-7-4-8-5-7;1-6(2)5-7-3-4-7/h7-8H,3-6H2,1-2H3;4-5H,3H2,1-2H3;5-6H,3-4H2,1-2H3;4-7H,3H2,1-2H3;6H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyALXCIQYORFLNEW-UHFFFAOYSA-N
XLogP19.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.44
LogP ≤ 519.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-2-methylpropyl)cyclopropane;1,2-difluoro-3-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclopropane;(1-fluoro-2-methylpropyl)cyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclopropane?
The IUPAC name of (1,1-difluoro-2-methylpropyl)cyclopropane;1,2-difluoro-3-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclopropane;(1-fluoro-2-methylpropyl)cyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclopropane (CID 157156792) is (1,1-difluoro-2-methylpropyl)cyclopropane;1,2-difluoro-3-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclopropane;(1-fluoro-2-methylpropyl)cyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclopropane.
What is the SMILES notation for (1,1-difluoro-2-methylpropyl)cyclopropane;1,2-difluoro-3-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclopropane;(1-fluoro-2-methylpropyl)cyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclopropane?
The canonical SMILES for (1,1-difluoro-2-methylpropyl)cyclopropane;1,2-difluoro-3-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclopropane;(1-fluoro-2-methylpropyl)cyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclopropane is CC(C)C(F)(F)C1CC1.CC(C)C(F)C1CC1.CC(C)CC1(F)CC1.CC(C)CC1C(F)(F)C1(F)F.CC(C)CC1C(F)C1F.CC(C)CC1CC1.CC(C)CC1CCC1.CC(C)CC1COC1.
What is the InChIKey of (1,1-difluoro-2-methylpropyl)cyclopropane;1,2-difluoro-3-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclopropane;(1-fluoro-2-methylpropyl)cyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclopropane?
The InChIKey is ALXCIQYORFLNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C7H10F4.2C7H12F2.2C7H13F.C7H14O.C7H14/c1-7(2)6-8-4-3-5-8;1-4(2)3-5-6(8,9)7(5,10)11;1-5(2)7(8,9)6-3-4-6;1-4(2)3-5-6(8)7(5)9;1-6(2)5-7(8)3-4-7;1-5(2)7(8)6-3-4-6;1-6(2)3-7-4-8-5-7;1-6(2)5-7-3-4-7/h7-8H,3-6H2,1-2H3;4-5H,3H2,1-2H3;5-6H,3-4H2,1-2H3;4-7H,3H2,1-2H3;6H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of (1,1-difluoro-2-methylpropyl)cyclopropane;1,2-difluoro-3-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclopropane;(1-fluoro-2-methylpropyl)cyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclopropane?
(1,1-difluoro-2-methylpropyl)cyclopropane;1,2-difluoro-3-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclopropane;(1-fluoro-2-methylpropyl)cyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclopropane has a molecular weight of 995.44 g/mol, XLogP of 19.84, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-2-methylpropyl)cyclopropane;1,2-difluoro-3-(2-methylpropyl)cyclopropane;1-fluoro-1-(2-methylpropyl)cyclopropane;(1-fluoro-2-methylpropyl)cyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;3-(2-methylpropyl)oxetane;1,1,2,2-tetrafluoro-3-(2-methylpropyl)cyclopropane is sourced from PubChem (CID 157156792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).