1-chloro-4-(fluoromethyl)-2-methylbenzene

C8H8ClF — CID 67488160

IUPAC1-chloro-4-(fluoromethyl)-2-methylbenzene
SMILESCc1cc(CF)ccc1Cl
InChIInChI=1S/C8H8ClF/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,5H2,1H3
InChIKeyZHKWTYRVNWKFEN-UHFFFAOYSA-N
MW158.60 g/mol
LogP3.12
Rot. Bonds1

About 1-chloro-4-(fluoromethyl)-2-methylbenzene

1-chloro-4-(fluoromethyl)-2-methylbenzene (PubChem CID 67488160) has the molecular formula C8H8ClF and a molecular weight of 158.60 g/mol. Its IUPAC name is 1-chloro-4-(fluoromethyl)-2-methylbenzene.

Molecular Properties

Compound Name1-chloro-4-(fluoromethyl)-2-methylbenzene
PubChem CID67488160
Molecular FormulaC8H8ClF
Molecular Weight158.60 g/mol
Exact Mass158.03
IUPAC Name1-chloro-4-(fluoromethyl)-2-methylbenzene
SMILESCc1cc(CF)ccc1Cl
InChIInChI=1S/C8H8ClF/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,5H2,1H3
InChIKeyZHKWTYRVNWKFEN-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.60
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-(chloromethyl)-2-methylbenzene
CID 524342
1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene
CID 174899702
1-chloro-4-ethyl-2-methylbenzene;ethane
CID 142121320
1-chloro-4-(2-chloroethyl)-2-methylbenzene
CID 95405218
4-(2-bromoethyl)-1-chloro-2-methylbenzene
CID 70098865
N-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine
CID 103991396
4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene
CID 165483204
1-chloro-2-methyl-4-prop-2-enylbenzene
CID 2757698
2-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
CID 134085940
2-chloro-1-fluoro-4-(fluoromethyl)benzene
CID 84651474
1-(4-chloro-3-methylphenyl)propan-2-amine;ethane
CID 143509041
4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene
CID 165483203

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(fluoromethyl)-2-methylbenzene?
The IUPAC name of 1-chloro-4-(fluoromethyl)-2-methylbenzene (CID 67488160) is 1-chloro-4-(fluoromethyl)-2-methylbenzene.
What is the SMILES notation for 1-chloro-4-(fluoromethyl)-2-methylbenzene?
The canonical SMILES for 1-chloro-4-(fluoromethyl)-2-methylbenzene is Cc1cc(CF)ccc1Cl.
What is the InChIKey of 1-chloro-4-(fluoromethyl)-2-methylbenzene?
The InChIKey is ZHKWTYRVNWKFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,5H2,1H3.
What are the key properties of 1-chloro-4-(fluoromethyl)-2-methylbenzene?
1-chloro-4-(fluoromethyl)-2-methylbenzene has a molecular weight of 158.60 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(fluoromethyl)-2-methylbenzene is sourced from PubChem (CID 67488160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).