2-(trifluoromethyl)hexan-1-amine

C7H14F3N — CID 10397204

IUPAC2-(trifluoromethyl)hexan-1-amine
SMILESCCCCC(CN)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-2-3-4-6(5-11)7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyLIKBNFONPZMBKS-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.31
Rot. Bonds4

About 2-(trifluoromethyl)hexan-1-amine

2-(trifluoromethyl)hexan-1-amine (PubChem CID 10397204) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-(trifluoromethyl)hexan-1-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)hexan-1-amine
PubChem CID10397204
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name2-(trifluoromethyl)hexan-1-amine
SMILESCCCCC(CN)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-2-3-4-6(5-11)7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyLIKBNFONPZMBKS-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)hexan-1-amine?
The IUPAC name of 2-(trifluoromethyl)hexan-1-amine (CID 10397204) is 2-(trifluoromethyl)hexan-1-amine.
What is the SMILES notation for 2-(trifluoromethyl)hexan-1-amine?
The canonical SMILES for 2-(trifluoromethyl)hexan-1-amine is CCCCC(CN)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)hexan-1-amine?
The InChIKey is LIKBNFONPZMBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N/c1-2-3-4-6(5-11)7(8,9)10/h6H,2-5,11H2,1H3.
What are the key properties of 2-(trifluoromethyl)hexan-1-amine?
2-(trifluoromethyl)hexan-1-amine has a molecular weight of 169.19 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)hexan-1-amine is sourced from PubChem (CID 10397204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).