2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane

C13H20F4 — CID 174754324

IUPAC2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane
SMILESFC1(F)CCC(CC2CCCCC2(F)F)CC1
InChIInChI=1S/C13H20F4/c14-12(15)7-4-10(5-8-12)9-11-3-1-2-6-13(11,16)17/h10-11H,1-9H2
InChIKeyZQJMDPPHNIVVKG-UHFFFAOYSA-N
MW252.29 g/mol
LogP5.03
Rot. Bonds2

About 2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane

2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane (PubChem CID 174754324) has the molecular formula C13H20F4 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane.

Molecular Properties

Compound Name2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane
PubChem CID174754324
Molecular FormulaC13H20F4
Molecular Weight252.29 g/mol
Exact Mass252.15
IUPAC Name2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane
SMILESFC1(F)CCC(CC2CCCCC2(F)F)CC1
InChIInChI=1S/C13H20F4/c14-12(15)7-4-10(5-8-12)9-11-3-1-2-6-13(11,16)17/h10-11H,1-9H2
InChIKeyZQJMDPPHNIVVKG-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.29
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane with MolForge

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Related Compounds

(2,2-difluorocyclohexyl)methanamine;hydrochloride
CID 105441933
3-[(2,2-difluorocyclopentyl)methyl]piperidine
CID 130934240
(4,4-difluorocyclohexyl)methanol;ethane
CID 162726117
N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine
CID 127002696
1-(2,2-difluorocyclohexyl)-N-methylmethanamine;hydrochloride
CID 163321422
2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one
CID 130905676
4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol
CID 159319848
1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene
CID 138600557
ethyl 2-[(1S)-2,2-difluorocyclohexyl]acetate
CID 95170239
(1R)-3,3-difluorocycloheptan-1-amine
CID 97055145
4-bromo-1-[(2,2-difluorocyclohexyl)methyl]pyrazole
CID 130991715
4-ethyl-1,1-difluorocycloheptane;molecular hydrogen
CID 178021496

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane?
The IUPAC name of 2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane (CID 174754324) is 2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane.
What is the SMILES notation for 2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane?
The canonical SMILES for 2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane is FC1(F)CCC(CC2CCCCC2(F)F)CC1.
What is the InChIKey of 2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane?
The InChIKey is ZQJMDPPHNIVVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F4/c14-12(15)7-4-10(5-8-12)9-11-3-1-2-6-13(11,16)17/h10-11H,1-9H2.
What are the key properties of 2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane?
2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane has a molecular weight of 252.29 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane is sourced from PubChem (CID 174754324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).