1,2-difluoro-4,5-dimethylcycloheptane

C9H16F2 — CID 143035426

IUPAC1,2-difluoro-4,5-dimethylcycloheptane
SMILESCC1CCC(F)C(F)CC1C
InChIInChI=1S/C9H16F2/c1-6-3-4-8(10)9(11)5-7(6)2/h6-9H,3-5H2,1-2H3
InChIKeyKSJLCVJCKXXMJV-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.12
Rot. Bonds

About 1,2-difluoro-4,5-dimethylcycloheptane

1,2-difluoro-4,5-dimethylcycloheptane (PubChem CID 143035426) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is 1,2-difluoro-4,5-dimethylcycloheptane.

Molecular Properties

Compound Name1,2-difluoro-4,5-dimethylcycloheptane
PubChem CID143035426
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name1,2-difluoro-4,5-dimethylcycloheptane
SMILESCC1CCC(F)C(F)CC1C
InChIInChI=1S/C9H16F2/c1-6-3-4-8(10)9(11)5-7(6)2/h6-9H,3-5H2,1-2H3
InChIKeyKSJLCVJCKXXMJV-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S)-1-fluoro-2-methylcyclobutane
CID 149484221
(4R)-1,2-difluoro-4-methylcyclohexane
CID 89362565
cis-(4R,5S)-1-fluoro-2,4,5-trimethylcyclohexane
CID 122693333
cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane
CID 126671051
1,5-difluoro-2-methylcycloheptane
CID 138653554
trans-(3S,4S)-1,3-difluoro-2,4-dimethylcyclohexane
CID 134441969
(1R,2R,5R)-2-fluoro-5-methylcyclopentan-1-amine
CID 125452095
2-(3,4-difluorocyclohexyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142971586
4-(3,4-dimethylcyclohexyl)-1-(3-fluoro-4-methylcyclohexyl)-2-methylcyclohexane
CID 167048717
1,2,4,7-tetramethylcyclononane
CID 123661715
(1S,3S,4R)-3,4-difluorocyclohexan-1-amine
CID 105427836
(1R,3R,4S)-3,4-dimethylcyclohexan-1-ol
CID 6994302

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4,5-dimethylcycloheptane?
The IUPAC name of 1,2-difluoro-4,5-dimethylcycloheptane (CID 143035426) is 1,2-difluoro-4,5-dimethylcycloheptane.
What is the SMILES notation for 1,2-difluoro-4,5-dimethylcycloheptane?
The canonical SMILES for 1,2-difluoro-4,5-dimethylcycloheptane is CC1CCC(F)C(F)CC1C.
What is the InChIKey of 1,2-difluoro-4,5-dimethylcycloheptane?
The InChIKey is KSJLCVJCKXXMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2/c1-6-3-4-8(10)9(11)5-7(6)2/h6-9H,3-5H2,1-2H3.
What are the key properties of 1,2-difluoro-4,5-dimethylcycloheptane?
1,2-difluoro-4,5-dimethylcycloheptane has a molecular weight of 162.22 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4,5-dimethylcycloheptane is sourced from PubChem (CID 143035426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).