1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone

C19H16ClF3O2 — CID 161092584

IUPAC1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone
SMILESO=C(COCC1CC1)c1ccc(F)c(F)c1Cc1ccc(F)cc1Cl
InChIInChI=1S/C19H16ClF3O2/c20-16-8-13(21)4-3-12(16)7-15-14(5-6-17(22)19(15)23)18(24)10-25-9-11-1-2-11/h3-6,8,11H,1-2,7,9-10H2
InChIKeyUHJKPDCIXAIANC-UHFFFAOYSA-N
MW368.78 g/mol
LogP4.96
Rot. Bonds7

About 1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone

1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone (PubChem CID 161092584) has the molecular formula C19H16ClF3O2 and a molecular weight of 368.78 g/mol. Its IUPAC name is 1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone.

Molecular Properties

Compound Name1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone
PubChem CID161092584
Molecular FormulaC19H16ClF3O2
Molecular Weight368.78 g/mol
Exact Mass368.08
IUPAC Name1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone
SMILESO=C(COCC1CC1)c1ccc(F)c(F)c1Cc1ccc(F)cc1Cl
InChIInChI=1S/C19H16ClF3O2/c20-16-8-13(21)4-3-12(16)7-15-14(5-6-17(22)19(15)23)18(24)10-25-9-11-1-2-11/h3-6,8,11H,1-2,7,9-10H2
InChIKeyUHJKPDCIXAIANC-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2-chloro-4-iodophenyl)methyl]-3,4-difluorophenyl]-2-(2,3-dihydroxypropoxy)ethanone
CID 157122660
1-[6-[(4-chloro-2-methylphenyl)methyl]-3-(2,3-dihydroxypropyl)-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone
CID 58324255
4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-3-fluoro-1-(2-hydroxyethyl)pyridin-2-one
CID 58360738
1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-[4-(4-methylpiperazin-1-yl)butyl]benzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone
CID 58324344
2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 66323732
1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-(4-morpholin-4-ylbutyl)benzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone
CID 58324203
1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone
CID 66322654
4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one
CID 58360709
4-[[6-[2-(cyclopropylmethoxy)acetyl]-4-fluoro-1H-benzimidazol-5-yl]methyl]-3-methylbenzonitrile
CID 58324301
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008
1-(2-chloro-4-fluorophenyl)-2-phenylmethoxyethanone
CID 146009455

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone?
The IUPAC name of 1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone (CID 161092584) is 1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone.
What is the SMILES notation for 1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone?
The canonical SMILES for 1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone is O=C(COCC1CC1)c1ccc(F)c(F)c1Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone?
The InChIKey is UHJKPDCIXAIANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3O2/c20-16-8-13(21)4-3-12(16)7-15-14(5-6-17(22)19(15)23)18(24)10-25-9-11-1-2-11/h3-6,8,11H,1-2,7,9-10H2.
What are the key properties of 1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone?
1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone has a molecular weight of 368.78 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-4-fluorophenyl)methyl]-3,4-difluorophenyl]-2-(cyclopropylmethoxy)ethanone is sourced from PubChem (CID 161092584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).