2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene

C10H12ClFO — CID 130178989

IUPAC2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene
SMILESCOCC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFO/c1-7(6-13-2)8-3-4-10(12)9(11)5-8/h3-5,7H,6H2,1-2H3
InChIKeyDYPDTUUZFNQJEA-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.23
Rot. Bonds3

About 2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene

2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene (PubChem CID 130178989) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene
PubChem CID130178989
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene
SMILESCOCC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFO/c1-7(6-13-2)8-3-4-10(12)9(11)5-8/h3-5,7H,6H2,1-2H3
InChIKeyDYPDTUUZFNQJEA-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-4-fluorophenyl)butanenitrile
CID 83637580
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3-dimethoxypropan-1-amine
CID 113368479
1-chloro-3-(1-methoxypropan-2-yl)benzene
CID 170008686
1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene
CID 118373947
(1S)-1-(3-chloro-4-fluorophenyl)-2-propan-2-yloxyethanamine
CID 118021269
3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 5184702
1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine
CID 78968847
ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene
CID 143926197
(3-chloro-4-fluorophenyl)-methoxymethanol
CID 175241908
1-(3-chloro-4-fluorophenyl)-3-propan-2-yloxypropan-1-amine
CID 114993091
1-(3-chloro-4-fluorophenyl)-N-(2-methylpropoxy)ethanamine
CID 82710342
2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene
CID 82879437

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene?
The IUPAC name of 2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene (CID 130178989) is 2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene is COCC(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene?
The InChIKey is DYPDTUUZFNQJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-7(6-13-2)8-3-4-10(12)9(11)5-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene?
2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene has a molecular weight of 202.66 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene is sourced from PubChem (CID 130178989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).