3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-amine

C12H14ClF3N2 — CID 153367440

IUPAC3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-amine
SMILESNC1CCCC(c2ccc(Cl)c(C(F)(F)F)n2)C1
InChIInChI=1S/C12H14ClF3N2/c13-9-4-5-10(18-11(9)12(14,15)16)7-2-1-3-8(17)6-7/h4-5,7-8H,1-3,6,17H2
InChIKeyMFJNBWQJTMZBBR-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.74
Rot. Bonds1

About 3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-amine

3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-amine (PubChem CID 153367440) has the molecular formula C12H14ClF3N2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-amine
PubChem CID153367440
Molecular FormulaC12H14ClF3N2
Molecular Weight278.71 g/mol
Exact Mass278.08
IUPAC Name3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-amine
SMILESNC1CCCC(c2ccc(Cl)c(C(F)(F)F)n2)C1
InChIInChI=1S/C12H14ClF3N2/c13-9-4-5-10(18-11(9)12(14,15)16)7-2-1-3-8(17)6-7/h4-5,7-8H,1-3,6,17H2
InChIKeyMFJNBWQJTMZBBR-UHFFFAOYSA-N
XLogP3.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-amine?
The IUPAC name of 3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-amine (CID 153367440) is 3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-amine?
The canonical SMILES for 3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-amine is NC1CCCC(c2ccc(Cl)c(C(F)(F)F)n2)C1.
What is the InChIKey of 3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-amine?
The InChIKey is MFJNBWQJTMZBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2/c13-9-4-5-10(18-11(9)12(14,15)16)7-2-1-3-8(17)6-7/h4-5,7-8H,1-3,6,17H2.
What are the key properties of 3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-amine?
3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-amine has a molecular weight of 278.71 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-amine is sourced from PubChem (CID 153367440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).