(4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C13H15F5N2 — CID 102710009

IUPAC(4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNC(c1cnccc1C(F)(F)F)C1CCC(F)(F)CC1
InChIInChI=1S/C13H15F5N2/c14-12(15)4-1-8(2-5-12)11(19)9-7-20-6-3-10(9)13(16,17)18/h3,6-8,11H,1-2,4-5,19H2
InChIKeyIIZKWOVWNNVQMF-UHFFFAOYSA-N
MW294.27 g/mol
LogP3.93
Rot. Bonds2

About (4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

(4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102710009) has the molecular formula C13H15F5N2 and a molecular weight of 294.27 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102710009
Molecular FormulaC13H15F5N2
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name(4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNC(c1cnccc1C(F)(F)F)C1CCC(F)(F)CC1
InChIInChI=1S/C13H15F5N2/c14-12(15)4-1-8(2-5-12)11(19)9-7-20-6-3-10(9)13(16,17)18/h3,6-8,11H,1-2,4-5,19H2
InChIKeyIIZKWOVWNNVQMF-UHFFFAOYSA-N
XLogP3.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride
CID 131637722
(3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708268
3-cyclopentyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709687
(3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708450
3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine
CID 174946323
[cycloheptyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710352
(4-methylmorpholin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708320
piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707413
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
[(2,2-dimethylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 107195010
[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710499
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of (4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102710009) is (4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is NC(c1cnccc1C(F)(F)F)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is IIZKWOVWNNVQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5N2/c14-12(15)4-1-8(2-5-12)11(19)9-7-20-6-3-10(9)13(16,17)18/h3,6-8,11H,1-2,4-5,19H2.
What are the key properties of (4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
(4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 294.27 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102710009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).