1-[6-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol

C9H10F4O2 — CID 162597694

IUPAC1-[6-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol
SMILESCC(O)C1C=CC(OC(F)(F)F)=CC1F
InChIInChI=1S/C9H10F4O2/c1-5(14)7-3-2-6(4-8(7)10)15-9(11,12)13/h2-5,7-8,14H,1H3
InChIKeyXMFPCTBQZGHFPA-UHFFFAOYSA-N
MW226.17 g/mol
LogP2.31
Rot. Bonds2

About 1-[6-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol

1-[6-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol (PubChem CID 162597694) has the molecular formula C9H10F4O2 and a molecular weight of 226.17 g/mol. Its IUPAC name is 1-[6-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol.

Molecular Properties

Compound Name1-[6-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol
PubChem CID162597694
Molecular FormulaC9H10F4O2
Molecular Weight226.17 g/mol
Exact Mass226.06
IUPAC Name1-[6-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol
SMILESCC(O)C1C=CC(OC(F)(F)F)=CC1F
InChIInChI=1S/C9H10F4O2/c1-5(14)7-3-2-6(4-8(7)10)15-9(11,12)13/h2-5,7-8,14H,1H3
InChIKeyXMFPCTBQZGHFPA-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol?
The IUPAC name of 1-[6-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol (CID 162597694) is 1-[6-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol.
What is the SMILES notation for 1-[6-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol?
The canonical SMILES for 1-[6-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol is CC(O)C1C=CC(OC(F)(F)F)=CC1F.
What is the InChIKey of 1-[6-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol?
The InChIKey is XMFPCTBQZGHFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4O2/c1-5(14)7-3-2-6(4-8(7)10)15-9(11,12)13/h2-5,7-8,14H,1H3.
What are the key properties of 1-[6-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol?
1-[6-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol has a molecular weight of 226.17 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol is sourced from PubChem (CID 162597694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).