[3-chloro-4-(fluoromethyl)phenyl]methanol

C8H8ClFO — CID 88976698

IUPAC[3-chloro-4-(fluoromethyl)phenyl]methanol
SMILESOCc1ccc(CF)c(Cl)c1
InChIInChI=1S/C8H8ClFO/c9-8-3-6(5-11)1-2-7(8)4-10/h1-3,11H,4-5H2
InChIKeyWCFMTPZFCOVKKU-UHFFFAOYSA-N
MW174.60 g/mol
LogP2.30
Rot. Bonds2

About [3-chloro-4-(fluoromethyl)phenyl]methanol

[3-chloro-4-(fluoromethyl)phenyl]methanol (PubChem CID 88976698) has the molecular formula C8H8ClFO and a molecular weight of 174.60 g/mol. Its IUPAC name is [3-chloro-4-(fluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(fluoromethyl)phenyl]methanol
PubChem CID88976698
Molecular FormulaC8H8ClFO
Molecular Weight174.60 g/mol
Exact Mass174.02
IUPAC Name[3-chloro-4-(fluoromethyl)phenyl]methanol
SMILESOCc1ccc(CF)c(Cl)c1
InChIInChI=1S/C8H8ClFO/c9-8-3-6(5-11)1-2-7(8)4-10/h1-3,11H,4-5H2
InChIKeyWCFMTPZFCOVKKU-UHFFFAOYSA-N
XLogP2.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.60
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(fluoromethyl)phenyl]methanol?
The IUPAC name of [3-chloro-4-(fluoromethyl)phenyl]methanol (CID 88976698) is [3-chloro-4-(fluoromethyl)phenyl]methanol.
What is the SMILES notation for [3-chloro-4-(fluoromethyl)phenyl]methanol?
The canonical SMILES for [3-chloro-4-(fluoromethyl)phenyl]methanol is OCc1ccc(CF)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(fluoromethyl)phenyl]methanol?
The InChIKey is WCFMTPZFCOVKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO/c9-8-3-6(5-11)1-2-7(8)4-10/h1-3,11H,4-5H2.
What are the key properties of [3-chloro-4-(fluoromethyl)phenyl]methanol?
[3-chloro-4-(fluoromethyl)phenyl]methanol has a molecular weight of 174.60 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(fluoromethyl)phenyl]methanol is sourced from PubChem (CID 88976698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).