1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine

C12H14F4N2 — CID 64756541

IUPAC1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(c2cncc(F)c2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H14F4N2/c13-10-5-9(6-18-7-10)11(17)3-1-8(2-4-11)12(14,15)16/h5-8H,1-4,17H2
InChIKeyQOOVQNGBUUAFRN-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.13
Rot. Bonds1

About 1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64756541) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64756541
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC Name1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(c2cncc(F)c2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H14F4N2/c13-10-5-9(6-18-7-10)11(17)3-1-8(2-4-11)12(14,15)16/h5-8H,1-4,17H2
InChIKeyQOOVQNGBUUAFRN-UHFFFAOYSA-N
XLogP3.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64756541) is 1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine is NC1(c2cncc(F)c2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is QOOVQNGBUUAFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2/c13-10-5-9(6-18-7-10)11(17)3-1-8(2-4-11)12(14,15)16/h5-8H,1-4,17H2.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 262.25 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64756541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).