(3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone

C13H13F4NO — CID 105129285

IUPAC(3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(c1ccncc1F)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H13F4NO/c14-11-7-18-5-4-10(11)12(19)8-2-1-3-9(6-8)13(15,16)17/h4-5,7-9H,1-3,6H2
InChIKeyAXVRUBQGEQEHEJ-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.77
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone

(3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105129285) has the molecular formula C13H13F4NO and a molecular weight of 275.24 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105129285
Molecular FormulaC13H13F4NO
Molecular Weight275.24 g/mol
Exact Mass275.09
IUPAC Name(3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(c1ccncc1F)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H13F4NO/c14-11-7-18-5-4-10(11)12(19)8-2-1-3-9(6-8)13(15,16)17/h4-5,7-9H,1-3,6H2
InChIKeyAXVRUBQGEQEHEJ-UHFFFAOYSA-N
XLogP3.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-(3-fluoro-4-pyridinyl)methanone
CID 119030457
(4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone
CID 116557323
(3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 113447198
3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64951456
(6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105098763
(1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 103133856
(2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105123623
(2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 87002556
cis-(1S,3R)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 130860648
cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 90020228
(3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105097261
(5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105124093

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone (CID 105129285) is (3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone is O=C(c1ccncc1F)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is AXVRUBQGEQEHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO/c14-11-7-18-5-4-10(11)12(19)8-2-1-3-9(6-8)13(15,16)17/h4-5,7-9H,1-3,6H2.
What are the key properties of (3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
(3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 275.24 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105129285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).