2,2-difluoro-4-methylpentane;2-fluoro-4-methylpentane;1-(2-methylpropyl)bicyclo[1.1.1]pentane;2-methylpropylcyclopropane;propan-2-ylcyclopropane

C34H67F3 — CID 165053299

IUPAC2,2-difluoro-4-methylpentane;2-fluoro-4-methylpentane;1-(2-methylpropyl)bicyclo[1.1.1]pentane;2-methylpropylcyclopropane;propan-2-ylcyclopropane
SMILESCC(C)C1CC1.CC(C)CC(C)(F)F.CC(C)CC(C)F.CC(C)CC12CC(C1)C2.CC(C)CC1CC1
InChIInChI=1S/C9H16.C7H14.C6H12F2.C6H13F.C6H12/c1-7(2)3-9-4-8(5-9)6-9;1-6(2)5-7-3-4-7;1-5(2)4-6(3,7)8;1-5(2)4-6(3)7;1-5(2)6-3-4-6/h7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyPZVYDGOFGKIZBO-UHFFFAOYSA-N
MW532.90 g/mol
LogP12.41
Rot. Bonds9

About 2,2-difluoro-4-methylpentane;2-fluoro-4-methylpentane;1-(2-methylpropyl)bicyclo[1.1.1]pentane;2-methylpropylcyclopropane;propan-2-ylcyclopropane

2,2-difluoro-4-methylpentane;2-fluoro-4-methylpentane;1-(2-methylpropyl)bicyclo[1.1.1]pentane;2-methylpropylcyclopropane;propan-2-ylcyclopropane (PubChem CID 165053299) has the molecular formula C34H67F3 and a molecular weight of 532.90 g/mol. Its IUPAC name is 2,2-difluoro-4-methylpentane;2-fluoro-4-methylpentane;1-(2-methylpropyl)bicyclo[1.1.1]pentane;2-methylpropylcyclopropane;propan-2-ylcyclopropane.

Molecular Properties

Compound Name2,2-difluoro-4-methylpentane;2-fluoro-4-methylpentane;1-(2-methylpropyl)bicyclo[1.1.1]pentane;2-methylpropylcyclopropane;propan-2-ylcyclopropane
PubChem CID165053299
Molecular FormulaC34H67F3
Molecular Weight532.90 g/mol
Exact Mass532.52
IUPAC Name2,2-difluoro-4-methylpentane;2-fluoro-4-methylpentane;1-(2-methylpropyl)bicyclo[1.1.1]pentane;2-methylpropylcyclopropane;propan-2-ylcyclopropane
SMILESCC(C)C1CC1.CC(C)CC(C)(F)F.CC(C)CC(C)F.CC(C)CC12CC(C1)C2.CC(C)CC1CC1
InChIInChI=1S/C9H16.C7H14.C6H12F2.C6H13F.C6H12/c1-7(2)3-9-4-8(5-9)6-9;1-6(2)5-7-3-4-7;1-5(2)4-6(3,7)8;1-5(2)4-6(3)7;1-5(2)6-3-4-6/h7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyPZVYDGOFGKIZBO-UHFFFAOYSA-N
XLogP12.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.90
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-methylpentane;2-fluoro-4-methylpentane;1-(2-methylpropyl)bicyclo[1.1.1]pentane;2-methylpropylcyclopropane;propan-2-ylcyclopropane?
The IUPAC name of 2,2-difluoro-4-methylpentane;2-fluoro-4-methylpentane;1-(2-methylpropyl)bicyclo[1.1.1]pentane;2-methylpropylcyclopropane;propan-2-ylcyclopropane (CID 165053299) is 2,2-difluoro-4-methylpentane;2-fluoro-4-methylpentane;1-(2-methylpropyl)bicyclo[1.1.1]pentane;2-methylpropylcyclopropane;propan-2-ylcyclopropane.
What is the SMILES notation for 2,2-difluoro-4-methylpentane;2-fluoro-4-methylpentane;1-(2-methylpropyl)bicyclo[1.1.1]pentane;2-methylpropylcyclopropane;propan-2-ylcyclopropane?
The canonical SMILES for 2,2-difluoro-4-methylpentane;2-fluoro-4-methylpentane;1-(2-methylpropyl)bicyclo[1.1.1]pentane;2-methylpropylcyclopropane;propan-2-ylcyclopropane is CC(C)C1CC1.CC(C)CC(C)(F)F.CC(C)CC(C)F.CC(C)CC12CC(C1)C2.CC(C)CC1CC1.
What is the InChIKey of 2,2-difluoro-4-methylpentane;2-fluoro-4-methylpentane;1-(2-methylpropyl)bicyclo[1.1.1]pentane;2-methylpropylcyclopropane;propan-2-ylcyclopropane?
The InChIKey is PZVYDGOFGKIZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.C7H14.C6H12F2.C6H13F.C6H12/c1-7(2)3-9-4-8(5-9)6-9;1-6(2)5-7-3-4-7;1-5(2)4-6(3,7)8;1-5(2)4-6(3)7;1-5(2)6-3-4-6/h7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5H,4H2,1-3H3;5-6H,4H2,1-3H3;5-6H,3-4H2,1-2H3.
What are the key properties of 2,2-difluoro-4-methylpentane;2-fluoro-4-methylpentane;1-(2-methylpropyl)bicyclo[1.1.1]pentane;2-methylpropylcyclopropane;propan-2-ylcyclopropane?
2,2-difluoro-4-methylpentane;2-fluoro-4-methylpentane;1-(2-methylpropyl)bicyclo[1.1.1]pentane;2-methylpropylcyclopropane;propan-2-ylcyclopropane has a molecular weight of 532.90 g/mol, XLogP of 12.41, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methylpentane;2-fluoro-4-methylpentane;1-(2-methylpropyl)bicyclo[1.1.1]pentane;2-methylpropylcyclopropane;propan-2-ylcyclopropane is sourced from PubChem (CID 165053299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).