1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane

C15H26F2 — CID 138719626

IUPAC1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane
SMILESCC(F)(F)CC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C15H26F2/c1-15(16,17)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h12-14H,2-11H2,1H3
InChIKeyZSYBPJDZHMNRME-UHFFFAOYSA-N
MW244.37 g/mol
LogP5.42
Rot. Bonds3

About 1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane

1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane (PubChem CID 138719626) has the molecular formula C15H26F2 and a molecular weight of 244.37 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane
PubChem CID138719626
Molecular FormulaC15H26F2
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane
SMILESCC(F)(F)CC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C15H26F2/c1-15(16,17)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h12-14H,2-11H2,1H3
InChIKeyZSYBPJDZHMNRME-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.37
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(2,2-difluoropropyl)-1-methylazocane
CID 154553887
1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane
CID 143182183
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol
CID 19985530
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
(3,3,3-trifluoro-2,2-dimethylpropyl)cyclopentane
CID 118360308
1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 11173805
(2,3-difluoro-4-methylcyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol
CID 140707008
1-cyclohexyl-4-nonylcyclohexane
CID 56627592
3-(2-cycloheptylethyl)-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 90780974
1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 159873536
3-cycloheptyl-2,2-difluoropropan-1-ol
CID 105446100
(3-ethylcyclopentyl)cyclohexane
CID 142208206

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane?
The IUPAC name of 1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane (CID 138719626) is 1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane?
The canonical SMILES for 1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane is CC(F)(F)CC1CCC(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane?
The InChIKey is ZSYBPJDZHMNRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2/c1-15(16,17)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h12-14H,2-11H2,1H3.
What are the key properties of 1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane?
1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane has a molecular weight of 244.37 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(2,2-difluoropropyl)cyclohexane is sourced from PubChem (CID 138719626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).