(2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one

C16H11Cl2F3O — CID 164684484

IUPAC(2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one
SMILESO=C(c1ccc(Cl)cc1)[C@H](CC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl2F3O/c17-12-5-1-10(2-6-12)14(9-16(19,20)21)15(22)11-3-7-13(18)8-4-11/h1-8,14H,9H2/t14-/m1/s1
InChIKeyIARCMXYZAMXTOJ-CQSZACIVSA-N
MW347.16 g/mol
LogP5.91
Rot. Bonds4

About (2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one

(2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one (PubChem CID 164684484) has the molecular formula C16H11Cl2F3O and a molecular weight of 347.16 g/mol. Its IUPAC name is (2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name(2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one
PubChem CID164684484
Molecular FormulaC16H11Cl2F3O
Molecular Weight347.16 g/mol
Exact Mass346.01
IUPAC Name(2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one
SMILESO=C(c1ccc(Cl)cc1)[C@H](CC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl2F3O/c17-12-5-1-10(2-6-12)14(9-16(19,20)21)15(22)11-3-7-13(18)8-4-11/h1-8,14H,9H2/t14-/m1/s1
InChIKeyIARCMXYZAMXTOJ-CQSZACIVSA-N
XLogP5.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.16
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one
CID 122226240
3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one
CID 70489362
2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 88827170
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959
1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene
CID 102144336
1,3-bis(4-chlorophenyl)-2-methylpropan-1-one
CID 86090557
1-(4-chlorophenyl)-3,3-difluoro-2-methylbutan-1-one
CID 130605207
(2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone
CID 93494356
ethyl (4S)-2,2-difluoro-4,5-bis(4-fluorophenyl)-5-oxopentanoate
CID 122395328
1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 118130022
1-(4-chlorophenyl)-3-nitro-2-phenylpropan-1-one
CID 101095215
4,4,4-trifluoro-2-phenylbutanoic acid
CID 59415192

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one?
The IUPAC name of (2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one (CID 164684484) is (2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for (2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one?
The canonical SMILES for (2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one is O=C(c1ccc(Cl)cc1)[C@H](CC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one?
The InChIKey is IARCMXYZAMXTOJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H11Cl2F3O/c17-12-5-1-10(2-6-12)14(9-16(19,20)21)15(22)11-3-7-13(18)8-4-11/h1-8,14H,9H2/t14-/m1/s1.
What are the key properties of (2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one?
(2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one has a molecular weight of 347.16 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 164684484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).