1-chloro-3-fluoro-2-(2-methoxypropyl)benzene

C10H12ClFO — CID 54183067

IUPAC1-chloro-3-fluoro-2-(2-methoxypropyl)benzene
SMILESCOC(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C10H12ClFO/c1-7(13-2)6-8-9(11)4-3-5-10(8)12/h3-5,7H,6H2,1-2H3
InChIKeyAGVFRRVQSUQIGA-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.06
Rot. Bonds3

About 1-chloro-3-fluoro-2-(2-methoxypropyl)benzene

1-chloro-3-fluoro-2-(2-methoxypropyl)benzene (PubChem CID 54183067) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-(2-methoxypropyl)benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-(2-methoxypropyl)benzene
PubChem CID54183067
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name1-chloro-3-fluoro-2-(2-methoxypropyl)benzene
SMILESCOC(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C10H12ClFO/c1-7(13-2)6-8-9(11)4-3-5-10(8)12/h3-5,7H,6H2,1-2H3
InChIKeyAGVFRRVQSUQIGA-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-Chlorophenyl)ethanol
CID 26082
Benzeneethanol, 2-chloro-alpha,alpha-dimethyl-
CID 80403
o-Chlorophenethylic alcohol
CID 88266
(1S)-1-(2-chlorophenyl)ethan-1-ol
CID 6999091
(1R)-1-(2-chlorophenyl)ethan-1-ol
CID 6999092
Oxirane, 2-((4-chlorophenyl)methyl)-
CID 148012
1-(2-Chlorophenyl)butan-1-ol
CID 225839
p-Chlorophenylbutylene oxide
CID 148860
2-Chloro-6-fluorobenzyl alcohol, n-butyl ether
CID 91718296
2-Chloro-6-fluorobenzyl alcohol, isopropyl ether
CID 91718298
2-Chloro-6-fluorobenzyl alcohol, 1-methylpropyl ether
CID 91718299
2-(2-Chloro-6-fluorophenyl)ethanol
CID 2733235

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-(2-methoxypropyl)benzene?
The IUPAC name of 1-chloro-3-fluoro-2-(2-methoxypropyl)benzene (CID 54183067) is 1-chloro-3-fluoro-2-(2-methoxypropyl)benzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-(2-methoxypropyl)benzene?
The canonical SMILES for 1-chloro-3-fluoro-2-(2-methoxypropyl)benzene is COC(C)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-3-fluoro-2-(2-methoxypropyl)benzene?
The InChIKey is AGVFRRVQSUQIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-7(13-2)6-8-9(11)4-3-5-10(8)12/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-chloro-3-fluoro-2-(2-methoxypropyl)benzene?
1-chloro-3-fluoro-2-(2-methoxypropyl)benzene has a molecular weight of 202.66 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-(2-methoxypropyl)benzene is sourced from PubChem (CID 54183067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).