[5-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]-2-pyridinyl]methanamine

C13H14F4N2 — CID 122489994

IUPAC[5-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(C2=CCC(C(F)(F)F)CC2)c(F)cn1
InChIInChI=1S/C13H14F4N2/c14-12-7-19-10(6-18)5-11(12)8-1-3-9(4-2-8)13(15,16)17/h1,5,7,9H,2-4,6,18H2
InChIKeyDSAFVJDWIBMUNB-UHFFFAOYSA-N
MW274.26 g/mol
LogP3.43
Rot. Bonds2

About [5-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]-2-pyridinyl]methanamine

[5-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]-2-pyridinyl]methanamine (PubChem CID 122489994) has the molecular formula C13H14F4N2 and a molecular weight of 274.26 g/mol. Its IUPAC name is [5-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]-2-pyridinyl]methanamine
PubChem CID122489994
Molecular FormulaC13H14F4N2
Molecular Weight274.26 g/mol
Exact Mass274.11
IUPAC Name[5-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(C2=CCC(C(F)(F)F)CC2)c(F)cn1
InChIInChI=1S/C13H14F4N2/c14-12-7-19-10(6-18)5-11(12)8-1-3-9(4-2-8)13(15,16)17/h1,5,7,9H,2-4,6,18H2
InChIKeyDSAFVJDWIBMUNB-UHFFFAOYSA-N
XLogP3.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Prothionamide
CID 666418
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Anabaseine
CID 18985
2-(3-Phenylpropyl)Pyridine
CID 459494
Lanicemine
CID 9794203
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2,3'-Bipyridine
CID 11389
2-Phenylpyridine
CID 13887
2-(Phenylmethyl)pyridine
CID 7581
2,4'-Bipyridine
CID 68488
5-Hexyl-2-methyl pyridine
CID 522401
4-(Pyridin-2-yl)aniline
CID 459518

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]-2-pyridinyl]methanamine?
The IUPAC name of [5-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]-2-pyridinyl]methanamine (CID 122489994) is [5-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [5-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [5-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]-2-pyridinyl]methanamine is NCc1cc(C2=CCC(C(F)(F)F)CC2)c(F)cn1.
What is the InChIKey of [5-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]-2-pyridinyl]methanamine?
The InChIKey is DSAFVJDWIBMUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2/c14-12-7-19-10(6-18)5-11(12)8-1-3-9(4-2-8)13(15,16)17/h1,5,7,9H,2-4,6,18H2.
What are the key properties of [5-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]-2-pyridinyl]methanamine?
[5-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]-2-pyridinyl]methanamine has a molecular weight of 274.26 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-[4-(trifluoromethyl)cyclohexen-1-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 122489994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).