[3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone

C14H6ClF6NO3 — CID 162509734

IUPAC[3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C14H6ClF6NO3/c15-9-5-7(1-4-11(9)25-14(19,20)21)12(23)10-3-2-8(6-22-10)24-13(16,17)18/h1-6H
InChIKeyHOHJJABCLPUIMS-UHFFFAOYSA-N
MW385.65 g/mol
LogP4.76
Rot. Bonds4

About [3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone

[3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone (PubChem CID 162509734) has the molecular formula C14H6ClF6NO3 and a molecular weight of 385.65 g/mol. Its IUPAC name is [3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone
PubChem CID162509734
Molecular FormulaC14H6ClF6NO3
Molecular Weight385.65 g/mol
Exact Mass384.99
IUPAC Name[3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C14H6ClF6NO3/c15-9-5-7(1-4-11(9)25-14(19,20)21)12(23)10-3-2-8(6-22-10)24-13(16,17)18/h1-6H
InChIKeyHOHJJABCLPUIMS-UHFFFAOYSA-N
XLogP4.76
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.65
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanone
CID 171367561
[3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847893
2-[3-chloro-4-(trifluoromethoxy)benzoyl]cyclopropane-1-carboxylic acid
CID 123398420
[3-amino-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802654
2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine
CID 135125786
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
(3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone
CID 90039610
4-[[3-chloro-4-(trifluoromethoxy)benzoyl]amino]pyrimidine-2-carboxylic acid
CID 167906608
(3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105097287
4-[2-chloro-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 147206874
4-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidine-2-carboxylic acid
CID 134142257
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone?
The IUPAC name of [3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone (CID 162509734) is [3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone.
What is the SMILES notation for [3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone?
The canonical SMILES for [3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone is O=C(c1ccc(OC(F)(F)F)c(Cl)c1)c1ccc(OC(F)(F)F)cn1.
What is the InChIKey of [3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone?
The InChIKey is HOHJJABCLPUIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF6NO3/c15-9-5-7(1-4-11(9)25-14(19,20)21)12(23)10-3-2-8(6-22-10)24-13(16,17)18/h1-6H.
What are the key properties of [3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone?
[3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone has a molecular weight of 385.65 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone is sourced from PubChem (CID 162509734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).