5-chloro-2-(difluoromethyl)-3-methylphenol

C8H7ClF2O — CID 59058133

IUPAC5-chloro-2-(difluoromethyl)-3-methylphenol
SMILESCc1cc(Cl)cc(O)c1C(F)F
InChIInChI=1S/C8H7ClF2O/c1-4-2-5(9)3-6(12)7(4)8(10)11/h2-3,8,12H,1H3
InChIKeyPBDHSACSONDVLU-UHFFFAOYSA-N
MW192.59 g/mol
LogP3.29
Rot. Bonds1

About 5-chloro-2-(difluoromethyl)-3-methylphenol

5-chloro-2-(difluoromethyl)-3-methylphenol (PubChem CID 59058133) has the molecular formula C8H7ClF2O and a molecular weight of 192.59 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-3-methylphenol.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-3-methylphenol
PubChem CID59058133
Molecular FormulaC8H7ClF2O
Molecular Weight192.59 g/mol
Exact Mass192.02
IUPAC Name5-chloro-2-(difluoromethyl)-3-methylphenol
SMILESCc1cc(Cl)cc(O)c1C(F)F
InChIInChI=1S/C8H7ClF2O/c1-4-2-5(9)3-6(12)7(4)8(10)11/h2-3,8,12H,1H3
InChIKeyPBDHSACSONDVLU-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.59
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-3-methylphenol?
The IUPAC name of 5-chloro-2-(difluoromethyl)-3-methylphenol (CID 59058133) is 5-chloro-2-(difluoromethyl)-3-methylphenol.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-3-methylphenol?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-3-methylphenol is Cc1cc(Cl)cc(O)c1C(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-3-methylphenol?
The InChIKey is PBDHSACSONDVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O/c1-4-2-5(9)3-6(12)7(4)8(10)11/h2-3,8,12H,1H3.
What are the key properties of 5-chloro-2-(difluoromethyl)-3-methylphenol?
5-chloro-2-(difluoromethyl)-3-methylphenol has a molecular weight of 192.59 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-chloro-2-(difluoromethyl)-3-methylphenol is sourced from PubChem (CID 59058133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).