N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine

C13H16ClF3N2 — CID 114179338

IUPACN-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NC1CCCCC1CCl
InChIInChI=1S/C13H16ClF3N2/c14-8-9-4-1-2-6-11(9)19-12-10(13(15,16)17)5-3-7-18-12/h3,5,7,9,11H,1-2,4,6,8H2,(H,18,19)
InChIKeyHFQQNHFCVWMPQV-UHFFFAOYSA-N
MW292.73 g/mol
LogP4.31
Rot. Bonds3

About N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine

N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 114179338) has the molecular formula C13H16ClF3N2 and a molecular weight of 292.73 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID114179338
Molecular FormulaC13H16ClF3N2
Molecular Weight292.73 g/mol
Exact Mass292.10
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NC1CCCCC1CCl
InChIInChI=1S/C13H16ClF3N2/c14-8-9-4-1-2-6-11(9)19-12-10(13(15,16)17)5-3-7-18-12/h3,5,7,9,11H,1-2,4,6,8H2,(H,18,19)
InChIKeyHFQQNHFCVWMPQV-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine (CID 114179338) is N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccnc1NC1CCCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HFQQNHFCVWMPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2/c14-8-9-4-1-2-6-11(9)19-12-10(13(15,16)17)5-3-7-18-12/h3,5,7,9,11H,1-2,4,6,8H2,(H,18,19).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 292.73 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 114179338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).