4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol

C15H22F6O — CID 22875023

IUPAC4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol
SMILESOC1CCC(C(C2CCCCC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C15H22F6O/c16-14(17,18)13(15(19,20)21,10-4-2-1-3-5-10)11-6-8-12(22)9-7-11/h10-12,22H,1-9H2
InChIKeyUVPWDHXFIFGJJW-UHFFFAOYSA-N
MW332.33 g/mol
LogP5.23
Rot. Bonds2

About 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol

4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol (PubChem CID 22875023) has the molecular formula C15H22F6O and a molecular weight of 332.33 g/mol. Its IUPAC name is 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol
PubChem CID22875023
Molecular FormulaC15H22F6O
Molecular Weight332.33 g/mol
Exact Mass332.16
IUPAC Name4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol
SMILESOC1CCC(C(C2CCCCC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C15H22F6O/c16-14(17,18)13(15(19,20)21,10-4-2-1-3-5-10)11-6-8-12(22)9-7-11/h10-12,22H,1-9H2
InChIKeyUVPWDHXFIFGJJW-UHFFFAOYSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.33
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol?
The IUPAC name of 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol (CID 22875023) is 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol is OC1CCC(C(C2CCCCC2)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol?
The InChIKey is UVPWDHXFIFGJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F6O/c16-14(17,18)13(15(19,20)21,10-4-2-1-3-5-10)11-6-8-12(22)9-7-11/h10-12,22H,1-9H2.
What are the key properties of 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol?
4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol has a molecular weight of 332.33 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 22875023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).