4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one

C10H7F6NO — CID 103311490

IUPAC4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one
SMILESO=C(Cc1ccccn1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H7F6NO/c11-9(12,13)8(10(14,15)16)7(18)5-6-3-1-2-4-17-6/h1-4,8H,5H2
InChIKeyUMKFGXOFCQHNAV-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.93
Rot. Bonds3

About 4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one

4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one (PubChem CID 103311490) has the molecular formula C10H7F6NO and a molecular weight of 271.16 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one
PubChem CID103311490
Molecular FormulaC10H7F6NO
Molecular Weight271.16 g/mol
Exact Mass271.04
IUPAC Name4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one
SMILESO=C(Cc1ccccn1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H7F6NO/c11-9(12,13)8(10(14,15)16)7(18)5-6-3-1-2-4-17-6/h1-4,8H,5H2
InChIKeyUMKFGXOFCQHNAV-UHFFFAOYSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
molecular hydrogen;2-pyridin-2-ylacetamide
CID 145224814
CID 131857449
CID 131857449
3-ethoxy-1-pyridin-2-ylhexan-2-one
CID 116707835
3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one
CID 116586998
(3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid
CID 67240305
(3S)-3-hydroxy-3,4-dimethyl-1-pyridin-2-ylpentan-2-one
CID 125490825
N-(2,2-difluoro-3-hydroxypropyl)-2-pyridin-2-ylacetamide
CID 106168483
2-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110696997
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
2-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 66461379
1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one?
The IUPAC name of 4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one (CID 103311490) is 4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one.
What is the SMILES notation for 4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one?
The canonical SMILES for 4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one is O=C(Cc1ccccn1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one?
The InChIKey is UMKFGXOFCQHNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO/c11-9(12,13)8(10(14,15)16)7(18)5-6-3-1-2-4-17-6/h1-4,8H,5H2.
What are the key properties of 4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one?
4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one has a molecular weight of 271.16 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one is sourced from PubChem (CID 103311490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).