1,1-difluoro-2,3,3-trimethylcyclohexane

C9H16F2 — CID 134969874

IUPAC1,1-difluoro-2,3,3-trimethylcyclohexane
SMILESCC1C(C)(C)CCCC1(F)F
InChIInChI=1S/C9H16F2/c1-7-8(2,3)5-4-6-9(7,10)11/h7H,4-6H2,1-3H3
InChIKeyLTDNDQLTDYRSHT-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.47
Rot. Bonds

About 1,1-difluoro-2,3,3-trimethylcyclohexane

1,1-difluoro-2,3,3-trimethylcyclohexane (PubChem CID 134969874) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is 1,1-difluoro-2,3,3-trimethylcyclohexane.

Molecular Properties

Compound Name1,1-difluoro-2,3,3-trimethylcyclohexane
PubChem CID134969874
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name1,1-difluoro-2,3,3-trimethylcyclohexane
SMILESCC1C(C)(C)CCCC1(F)F
InChIInChI=1S/C9H16F2/c1-7-8(2,3)5-4-6-9(7,10)11/h7H,4-6H2,1-3H3
InChIKeyLTDNDQLTDYRSHT-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2,3,3-trimethylcyclohexane?
The IUPAC name of 1,1-difluoro-2,3,3-trimethylcyclohexane (CID 134969874) is 1,1-difluoro-2,3,3-trimethylcyclohexane.
What is the SMILES notation for 1,1-difluoro-2,3,3-trimethylcyclohexane?
The canonical SMILES for 1,1-difluoro-2,3,3-trimethylcyclohexane is CC1C(C)(C)CCCC1(F)F.
What is the InChIKey of 1,1-difluoro-2,3,3-trimethylcyclohexane?
The InChIKey is LTDNDQLTDYRSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2/c1-7-8(2,3)5-4-6-9(7,10)11/h7H,4-6H2,1-3H3.
What are the key properties of 1,1-difluoro-2,3,3-trimethylcyclohexane?
1,1-difluoro-2,3,3-trimethylcyclohexane has a molecular weight of 162.22 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2,3,3-trimethylcyclohexane is sourced from PubChem (CID 134969874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).