(3-cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane

C15H26F2 — CID 162420156

IUPAC(3-cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane
SMILESFC(F)C(CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H26F2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h12-15H,1-11H2
InChIKeyGVIBPRKWMOUVDF-UHFFFAOYSA-N
MW244.37 g/mol
LogP5.42
Rot. Bonds4

About (3-cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane

(3-cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane (PubChem CID 162420156) has the molecular formula C15H26F2 and a molecular weight of 244.37 g/mol. Its IUPAC name is (3-cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane.

Molecular Properties

Compound Name(3-cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane
PubChem CID162420156
Molecular FormulaC15H26F2
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name(3-cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane
SMILESFC(F)C(CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H26F2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h12-15H,1-11H2
InChIKeyGVIBPRKWMOUVDF-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane?
The IUPAC name of (3-cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane (CID 162420156) is (3-cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane.
What is the SMILES notation for (3-cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane?
The canonical SMILES for (3-cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane is FC(F)C(CC1CCCCC1)C1CCCCC1.
What is the InChIKey of (3-cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane?
The InChIKey is GVIBPRKWMOUVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h12-15H,1-11H2.
What are the key properties of (3-cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane?
(3-cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane has a molecular weight of 244.37 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-1,1-difluoropropan-2-yl)cyclohexane is sourced from PubChem (CID 162420156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).