[5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol

C8H8Cl3FO — CID 163417861

IUPAC[5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol
SMILESOCC1=CCCC(F)=C1C(Cl)(Cl)Cl
InChIInChI=1S/C8H8Cl3FO/c9-8(10,11)7-5(4-13)2-1-3-6(7)12/h2,13H,1,3-4H2
InChIKeyAFYSBIBLPNBFKT-UHFFFAOYSA-N
MW245.51 g/mol
LogP3.29
Rot. Bonds1

About [5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol

[5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol (PubChem CID 163417861) has the molecular formula C8H8Cl3FO and a molecular weight of 245.51 g/mol. Its IUPAC name is [5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol.

Molecular Properties

Compound Name[5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol
PubChem CID163417861
Molecular FormulaC8H8Cl3FO
Molecular Weight245.51 g/mol
Exact Mass243.96
IUPAC Name[5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol
SMILESOCC1=CCCC(F)=C1C(Cl)(Cl)Cl
InChIInChI=1S/C8H8Cl3FO/c9-8(10,11)7-5(4-13)2-1-3-6(7)12/h2,13H,1,3-4H2
InChIKeyAFYSBIBLPNBFKT-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol?
The IUPAC name of [5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol (CID 163417861) is [5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol.
What is the SMILES notation for [5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol?
The canonical SMILES for [5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol is OCC1=CCCC(F)=C1C(Cl)(Cl)Cl.
What is the InChIKey of [5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol?
The InChIKey is AFYSBIBLPNBFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3FO/c9-8(10,11)7-5(4-13)2-1-3-6(7)12/h2,13H,1,3-4H2.
What are the key properties of [5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol?
[5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol has a molecular weight of 245.51 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-6-(trichloromethyl)cyclohexa-1,5-dien-1-yl]methanol is sourced from PubChem (CID 163417861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).