(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone

C14H6ClF5O — CID 114971329

IUPAC(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cc(F)c(Cl)cc1F)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H6ClF5O/c15-10-6-11(16)8(5-12(10)17)13(21)7-3-1-2-4-9(7)14(18,19)20/h1-6H
InChIKeyNVTSVELNHQNEHS-UHFFFAOYSA-N
MW320.64 g/mol
LogP4.87
Rot. Bonds2

About (4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone

(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 114971329) has the molecular formula C14H6ClF5O and a molecular weight of 320.64 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID114971329
Molecular FormulaC14H6ClF5O
Molecular Weight320.64 g/mol
Exact Mass320.00
IUPAC Name(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cc(F)c(Cl)cc1F)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H6ClF5O/c15-10-6-11(16)8(5-12(10)17)13(21)7-3-1-2-4-9(7)14(18,19)20/h1-6H
InChIKeyNVTSVELNHQNEHS-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.64
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
(4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone
CID 114962814
(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344485
(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098119
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116552312
4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride
CID 171009076
5-chloro-2-fluoro-4-(trifluoromethyl)benzamide
CID 168990948
(5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43338883
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 63411438
4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde
CID 90872795

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone (CID 114971329) is (4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1cc(F)c(Cl)cc1F)c1ccccc1C(F)(F)F.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is NVTSVELNHQNEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF5O/c15-10-6-11(16)8(5-12(10)17)13(21)7-3-1-2-4-9(7)14(18,19)20/h1-6H.
What are the key properties of (4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 320.64 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 114971329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).