(2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol

C21H23F3O — CID 67484387

IUPAC(2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
SMILESOC[C@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCCCC1
InChIInChI=1S/C21H23F3O/c22-21(23,24)19-12-10-16(11-13-19)15-6-8-18(9-7-15)20(14-25)17-4-2-1-3-5-17/h6-13,17,20,25H,1-5,14H2/t20-/m0/s1
InChIKeyDXRZAZLZYCLDEE-FQEVSTJZSA-N
MW348.41 g/mol
LogP6.03
Rot. Bonds4

About (2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol

(2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol (PubChem CID 67484387) has the molecular formula C21H23F3O and a molecular weight of 348.41 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
PubChem CID67484387
Molecular FormulaC21H23F3O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
SMILESOC[C@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCCCC1
InChIInChI=1S/C21H23F3O/c22-21(23,24)19-12-10-16(11-13-19)15-6-8-18(9-7-15)20(14-25)17-4-2-1-3-5-17/h6-13,17,20,25H,1-5,14H2/t20-/m0/s1
InChIKeyDXRZAZLZYCLDEE-FQEVSTJZSA-N
XLogP6.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
The IUPAC name of (2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol (CID 67484387) is (2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol.
What is the SMILES notation for (2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
The canonical SMILES for (2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol is OC[C@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
The InChIKey is DXRZAZLZYCLDEE-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23F3O/c22-21(23,24)19-12-10-16(11-13-19)15-6-8-18(9-7-15)20(14-25)17-4-2-1-3-5-17/h6-13,17,20,25H,1-5,14H2/t20-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
(2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol has a molecular weight of 348.41 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol is sourced from PubChem (CID 67484387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).