1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one

C17H16F2O2 — CID 43800781

IUPAC1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one
SMILESCC(OCCc1ccccc1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2O2/c1-12(21-10-9-13-5-3-2-4-6-13)17(20)15-8-7-14(18)11-16(15)19/h2-8,11-12H,9-10H2,1H3
InChIKeyYGNWTHQPTPMPQR-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.80
Rot. Bonds6

About 1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one

1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one (PubChem CID 43800781) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one
PubChem CID43800781
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one
SMILESCC(OCCc1ccccc1)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2O2/c1-12(21-10-9-13-5-3-2-4-6-13)17(20)15-8-7-14(18)11-16(15)19/h2-8,11-12H,9-10H2,1H3
InChIKeyYGNWTHQPTPMPQR-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 51063986
2-[(4-chlorophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one
CID 65125998
2-[(2-bromophenyl)methoxy]-1-(2,4-difluorophenyl)propan-1-one
CID 82809590
2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one
CID 62051545
1-(2,4-difluorophenyl)-4-phenylbutan-1-one
CID 63084036
2-[2-[(2,4-difluorobenzoyl)amino]ethoxy]propanoic acid
CID 110495256
1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one
CID 43232352
1-(2,4-difluorophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-one
CID 81057731
1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one
CID 43232354
4-(2,4-difluorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414908
1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 43160006
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one (CID 43800781) is 1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one is CC(OCCc1ccccc1)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one?
The InChIKey is YGNWTHQPTPMPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-12(21-10-9-13-5-3-2-4-6-13)17(20)15-8-7-14(18)11-16(15)19/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one?
1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one has a molecular weight of 290.31 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one is sourced from PubChem (CID 43800781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).