5-chloro-4-(difluoromethyl)-2-methylphenol;ethane

C10H13ClF2O — CID 163241199

IUPAC5-chloro-4-(difluoromethyl)-2-methylphenol;ethane
SMILESCC.Cc1cc(C(F)F)c(Cl)cc1O
InChIInChI=1S/C8H7ClF2O.C2H6/c1-4-2-5(8(10)11)6(9)3-7(4)12;1-2/h2-3,8,12H,1H3;1-2H3
InChIKeyPLTHKEUTOQBCSP-UHFFFAOYSA-N
MW222.66 g/mol
LogP4.32
Rot. Bonds1

About 5-chloro-4-(difluoromethyl)-2-methylphenol;ethane

5-chloro-4-(difluoromethyl)-2-methylphenol;ethane (PubChem CID 163241199) has the molecular formula C10H13ClF2O and a molecular weight of 222.66 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)-2-methylphenol;ethane.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)-2-methylphenol;ethane
PubChem CID163241199
Molecular FormulaC10H13ClF2O
Molecular Weight222.66 g/mol
Exact Mass222.06
IUPAC Name5-chloro-4-(difluoromethyl)-2-methylphenol;ethane
SMILESCC.Cc1cc(C(F)F)c(Cl)cc1O
InChIInChI=1S/C8H7ClF2O.C2H6/c1-4-2-5(8(10)11)6(9)3-7(4)12;1-2/h2-3,8,12H,1H3;1-2H3
InChIKeyPLTHKEUTOQBCSP-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.66
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dichloro-4-(difluoromethyl)phenol
CID 119008857
4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol
CID 118092077
2-tert-butyl-5-chloro-4-(difluoromethyl)phenol
CID 167323133
2-chloro-4-hydroxy-5-methylbenzonitrile;ethane
CID 145267621
(2-chloro-4-hydroxy-5-methylphenyl)boronic acid
CID 164895580
1-chloro-5-(difluoromethyl)-4-fluoro-2-methylbenzene
CID 130776793
4-chloro-5-methylbenzene-1,2-diol
CID 23510503
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
4-chloro-2-(difluoromethyl)-5-fluorophenol
CID 84667188
2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol
CID 117293030
1-[4-(difluoromethyl)-5-hydroxy-2-methylphenyl]ethanone
CID 131330773
1-(2-chloro-4-fluoro-5-methylphenyl)-2,2-difluoroethanol
CID 104632767

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethyl)-2-methylphenol;ethane?
The IUPAC name of 5-chloro-4-(difluoromethyl)-2-methylphenol;ethane (CID 163241199) is 5-chloro-4-(difluoromethyl)-2-methylphenol;ethane.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)-2-methylphenol;ethane?
The canonical SMILES for 5-chloro-4-(difluoromethyl)-2-methylphenol;ethane is CC.Cc1cc(C(F)F)c(Cl)cc1O.
What is the InChIKey of 5-chloro-4-(difluoromethyl)-2-methylphenol;ethane?
The InChIKey is PLTHKEUTOQBCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O.C2H6/c1-4-2-5(8(10)11)6(9)3-7(4)12;1-2/h2-3,8,12H,1H3;1-2H3.
What are the key properties of 5-chloro-4-(difluoromethyl)-2-methylphenol;ethane?
5-chloro-4-(difluoromethyl)-2-methylphenol;ethane has a molecular weight of 222.66 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(difluoromethyl)-2-methylphenol;ethane is sourced from PubChem (CID 163241199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).