(2R)-1-[4-(4,4-difluorocyclohexen-1-yl)phenyl]propan-2-ol

C15H18F2O — CID 154020923

IUPAC(2R)-1-[4-(4,4-difluorocyclohexen-1-yl)phenyl]propan-2-ol
SMILESC[C@@H](O)Cc1ccc(C2=CCC(F)(F)CC2)cc1
InChIInChI=1S/C15H18F2O/c1-11(18)10-12-2-4-13(5-3-12)14-6-8-15(16,17)9-7-14/h2-6,11,18H,7-10H2,1H3/t11-/m1/s1
InChIKeyXMAMLPHQHKDJGS-LLVKDONJSA-N
MW252.30 g/mol
LogP3.81
Rot. Bonds3

About (2R)-1-[4-(4,4-difluorocyclohexen-1-yl)phenyl]propan-2-ol

(2R)-1-[4-(4,4-difluorocyclohexen-1-yl)phenyl]propan-2-ol (PubChem CID 154020923) has the molecular formula C15H18F2O and a molecular weight of 252.30 g/mol. Its IUPAC name is (2R)-1-[4-(4,4-difluorocyclohexen-1-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(4,4-difluorocyclohexen-1-yl)phenyl]propan-2-ol
PubChem CID154020923
Molecular FormulaC15H18F2O
Molecular Weight252.30 g/mol
Exact Mass252.13
IUPAC Name(2R)-1-[4-(4,4-difluorocyclohexen-1-yl)phenyl]propan-2-ol
SMILESC[C@@H](O)Cc1ccc(C2=CCC(F)(F)CC2)cc1
InChIInChI=1S/C15H18F2O/c1-11(18)10-12-2-4-13(5-3-12)14-6-8-15(16,17)9-7-14/h2-6,11,18H,7-10H2,1H3/t11-/m1/s1
InChIKeyXMAMLPHQHKDJGS-LLVKDONJSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4,4-difluorocyclohexen-1-yl)phenyl]propan-2-ol?
The IUPAC name of (2R)-1-[4-(4,4-difluorocyclohexen-1-yl)phenyl]propan-2-ol (CID 154020923) is (2R)-1-[4-(4,4-difluorocyclohexen-1-yl)phenyl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(4,4-difluorocyclohexen-1-yl)phenyl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(4,4-difluorocyclohexen-1-yl)phenyl]propan-2-ol is C[C@@H](O)Cc1ccc(C2=CCC(F)(F)CC2)cc1.
What is the InChIKey of (2R)-1-[4-(4,4-difluorocyclohexen-1-yl)phenyl]propan-2-ol?
The InChIKey is XMAMLPHQHKDJGS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18F2O/c1-11(18)10-12-2-4-13(5-3-12)14-6-8-15(16,17)9-7-14/h2-6,11,18H,7-10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-[4-(4,4-difluorocyclohexen-1-yl)phenyl]propan-2-ol?
(2R)-1-[4-(4,4-difluorocyclohexen-1-yl)phenyl]propan-2-ol has a molecular weight of 252.30 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4,4-difluorocyclohexen-1-yl)phenyl]propan-2-ol is sourced from PubChem (CID 154020923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).