[(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane

C14H24F2 — CID 135037502

IUPAC[(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane
SMILESF[C@@H](C1CCCCC1)[C@@H](F)C1CCCCC1
InChIInChI=1S/C14H24F2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-14H,1-10H2/t13-,14-/m0/s1
InChIKeyNCHPKLMXLSNKIV-KBPBESRZSA-N
MW230.34 g/mol
LogP4.82
Rot. Bonds3

About [(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane

[(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane (PubChem CID 135037502) has the molecular formula C14H24F2 and a molecular weight of 230.34 g/mol. Its IUPAC name is [(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane.

Molecular Properties

Compound Name[(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane
PubChem CID135037502
Molecular FormulaC14H24F2
Molecular Weight230.34 g/mol
Exact Mass230.18
IUPAC Name[(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane
SMILESF[C@@H](C1CCCCC1)[C@@H](F)C1CCCCC1
InChIInChI=1S/C14H24F2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-14H,1-10H2/t13-,14-/m0/s1
InChIKeyNCHPKLMXLSNKIV-KBPBESRZSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Bicyclohexyl
CID 7094
1,2-Dicyclohexylethane
CID 76838
Dicyclohexylmethane
CID 76644
1,3-Dicyclohexylpropane
CID 137854
1,4-Dicyclohexylbutane
CID 22546
1-Cyclohexyl-1-fluorocyclohexane
CID 13811913
(3-Cyclohexyl-2-fluoropropyl)cyclohexane
CID 135066704
1,1'-(1,1,2,2-Tetrafluoroethylene)dicyclohexane
CID 10468122
(3-Cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane
CID 162420156
[(1R,2R,3S,6S,7R,8R)-8-cyclohexyl-1,2,3,6,7,8-hexafluorooctyl]cyclohexane
CID 168353296
CID 155930048
CID 155930048
3-Fluoropropylcyclohexane
CID 11469137

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane?
The IUPAC name of [(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane (CID 135037502) is [(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane.
What is the SMILES notation for [(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane?
The canonical SMILES for [(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane is F[C@@H](C1CCCCC1)[C@@H](F)C1CCCCC1.
What is the InChIKey of [(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane?
The InChIKey is NCHPKLMXLSNKIV-KBPBESRZSA-N. The full InChI is InChI=1S/C14H24F2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-14H,1-10H2/t13-,14-/m0/s1.
What are the key properties of [(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane?
[(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane has a molecular weight of 230.34 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-cyclohexyl-1,2-difluoroethyl]cyclohexane is sourced from PubChem (CID 135037502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).