(1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol

C10H10F6O — CID 87087339

IUPAC(1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol
SMILESC[C@@H](O)C1=CC(C(F)(F)F)CC(C(F)(F)F)=C1
InChIInChI=1S/C10H10F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-3,5,7,17H,4H2,1H3/t5-,7?/m1/s1
InChIKeyXFOPMCXEGQITSK-FOUAAFFMSA-N
MW260.18 g/mol
LogP3.36
Rot. Bonds1

About (1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol

(1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol (PubChem CID 87087339) has the molecular formula C10H10F6O and a molecular weight of 260.18 g/mol. Its IUPAC name is (1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol
PubChem CID87087339
Molecular FormulaC10H10F6O
Molecular Weight260.18 g/mol
Exact Mass260.06
IUPAC Name(1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol
SMILESC[C@@H](O)C1=CC(C(F)(F)F)CC(C(F)(F)F)=C1
InChIInChI=1S/C10H10F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-3,5,7,17H,4H2,1H3/t5-,7?/m1/s1
InChIKeyXFOPMCXEGQITSK-FOUAAFFMSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol?
The IUPAC name of (1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol (CID 87087339) is (1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol.
What is the SMILES notation for (1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol?
The canonical SMILES for (1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol is C[C@@H](O)C1=CC(C(F)(F)F)CC(C(F)(F)F)=C1.
What is the InChIKey of (1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol?
The InChIKey is XFOPMCXEGQITSK-FOUAAFFMSA-N. The full InChI is InChI=1S/C10H10F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-3,5,7,17H,4H2,1H3/t5-,7?/m1/s1.
What are the key properties of (1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol?
(1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol has a molecular weight of 260.18 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol is sourced from PubChem (CID 87087339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).