1-chloro-4-(difluoromethyl)-2-methoxybenzene

C8H7ClF2O — CID 84664383

IUPAC1-chloro-4-(difluoromethyl)-2-methoxybenzene
SMILESCOc1cc(C(F)F)ccc1Cl
InChIInChI=1S/C8H7ClF2O/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,8H,1H3
InChIKeyNMQXFJYYOICDLI-UHFFFAOYSA-N
MW192.59 g/mol
LogP3.29
Rot. Bonds2

About 1-chloro-4-(difluoromethyl)-2-methoxybenzene

1-chloro-4-(difluoromethyl)-2-methoxybenzene (PubChem CID 84664383) has the molecular formula C8H7ClF2O and a molecular weight of 192.59 g/mol. Its IUPAC name is 1-chloro-4-(difluoromethyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-chloro-4-(difluoromethyl)-2-methoxybenzene
PubChem CID84664383
Molecular FormulaC8H7ClF2O
Molecular Weight192.59 g/mol
Exact Mass192.02
IUPAC Name1-chloro-4-(difluoromethyl)-2-methoxybenzene
SMILESCOc1cc(C(F)F)ccc1Cl
InChIInChI=1S/C8H7ClF2O/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,8H,1H3
InChIKeyNMQXFJYYOICDLI-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.59
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 105007097
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 79700112
1-(4-chloro-3-methoxyphenyl)-2,2-dimethoxyethanamine
CID 79698300
1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849
(4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol
CID 79699607
4-(4-bromopentan-2-yl)-1-chloro-2-methoxybenzene
CID 79700193
(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 79701060
1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
CID 79699856
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
(3R)-2-(4-chloro-3-methoxyphenyl)-4,4,4-trifluoro-3-methylbutanoic acid
CID 89455491
(1S,2R)-1-amino-1-(4-chloro-3-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171270141
1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol
CID 79697411

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(difluoromethyl)-2-methoxybenzene?
The IUPAC name of 1-chloro-4-(difluoromethyl)-2-methoxybenzene (CID 84664383) is 1-chloro-4-(difluoromethyl)-2-methoxybenzene.
What is the SMILES notation for 1-chloro-4-(difluoromethyl)-2-methoxybenzene?
The canonical SMILES for 1-chloro-4-(difluoromethyl)-2-methoxybenzene is COc1cc(C(F)F)ccc1Cl.
What is the InChIKey of 1-chloro-4-(difluoromethyl)-2-methoxybenzene?
The InChIKey is NMQXFJYYOICDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,8H,1H3.
What are the key properties of 1-chloro-4-(difluoromethyl)-2-methoxybenzene?
1-chloro-4-(difluoromethyl)-2-methoxybenzene has a molecular weight of 192.59 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(difluoromethyl)-2-methoxybenzene is sourced from PubChem (CID 84664383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).