1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one

C15H10ClF3O — CID 61496497

IUPAC1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one
SMILESO=C(Cc1cc(F)cc(F)c1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H10ClF3O/c16-14-2-1-3-15(19)13(14)8-12(20)6-9-4-10(17)7-11(18)5-9/h1-5,7H,6,8H2
InChIKeyNPRXPVFAYYFNOI-UHFFFAOYSA-N
MW298.69 g/mol
LogP4.11
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one

1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one (PubChem CID 61496497) has the molecular formula C15H10ClF3O and a molecular weight of 298.69 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one
PubChem CID61496497
Molecular FormulaC15H10ClF3O
Molecular Weight298.69 g/mol
Exact Mass298.04
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one
SMILESO=C(Cc1cc(F)cc(F)c1)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H10ClF3O/c16-14-2-1-3-15(19)13(14)8-12(20)6-9-4-10(17)7-11(18)5-9/h1-5,7H,6,8H2
InChIKeyNPRXPVFAYYFNOI-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65478707
1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 61496199
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 55144449
1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63410030
1-(2-chloro-6-fluorophenyl)-5-methylhex-5-en-2-one
CID 114473539
1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 63409363
5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one
CID 66044445
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724
1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one
CID 82920197
1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one
CID 60975295
1-(2-chloro-6-fluorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 55144645

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one (CID 61496497) is 1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one is O=C(Cc1cc(F)cc(F)c1)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one?
The InChIKey is NPRXPVFAYYFNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O/c16-14-2-1-3-15(19)13(14)8-12(20)6-9-4-10(17)7-11(18)5-9/h1-5,7H,6,8H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one?
1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one has a molecular weight of 298.69 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one is sourced from PubChem (CID 61496497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).