1-fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane

C30H56F4 — CID 158282383

IUPAC1-fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane
SMILESCC(C)C1(C(F)(F)F)CC1.CC(C)C1CCC1.CC(C)C1CCC1(C)F.CC(C)C1CCCC1
InChIInChI=1S/C8H15F.C8H16.C7H11F3.C7H14/c1-6(2)7-4-5-8(7,3)9;1-7(2)8-5-3-4-6-8;1-5(2)6(3-4-6)7(8,9)10;1-6(2)7-4-3-5-7/h6-7H,4-5H2,1-3H3;7-8H,3-6H2,1-2H3;5H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyGKJDDAAIGYCZAO-UHFFFAOYSA-N
MW492.77 g/mol
LogP11.04
Rot. Bonds4

About 1-fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane

1-fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane (PubChem CID 158282383) has the molecular formula C30H56F4 and a molecular weight of 492.77 g/mol. Its IUPAC name is 1-fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name1-fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane
PubChem CID158282383
Molecular FormulaC30H56F4
Molecular Weight492.77 g/mol
Exact Mass492.43
IUPAC Name1-fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane
SMILESCC(C)C1(C(F)(F)F)CC1.CC(C)C1CCC1.CC(C)C1CCC1(C)F.CC(C)C1CCCC1
InChIInChI=1S/C8H15F.C8H16.C7H11F3.C7H14/c1-6(2)7-4-5-8(7,3)9;1-7(2)8-5-3-4-6-8;1-5(2)6(3-4-6)7(8,9)10;1-6(2)7-4-3-5-7/h6-7H,4-5H2,1-3H3;7-8H,3-6H2,1-2H3;5H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyGKJDDAAIGYCZAO-UHFFFAOYSA-N
XLogP11.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.77
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane?
The IUPAC name of 1-fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane (CID 158282383) is 1-fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane.
What is the SMILES notation for 1-fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane?
The canonical SMILES for 1-fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane is CC(C)C1(C(F)(F)F)CC1.CC(C)C1CCC1.CC(C)C1CCC1(C)F.CC(C)C1CCCC1.
What is the InChIKey of 1-fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane?
The InChIKey is GKJDDAAIGYCZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F.C8H16.C7H11F3.C7H14/c1-6(2)7-4-5-8(7,3)9;1-7(2)8-5-3-4-6-8;1-5(2)6(3-4-6)7(8,9)10;1-6(2)7-4-3-5-7/h6-7H,4-5H2,1-3H3;7-8H,3-6H2,1-2H3;5H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 1-fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane?
1-fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane has a molecular weight of 492.77 g/mol, XLogP of 11.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-methyl-2-propan-2-ylcyclobutane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-yl-1-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 158282383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).