N-(2,2,2-trifluoroethyl)hexan-3-amine

C8H16F3N — CID 62117454

IUPACN-(2,2,2-trifluoroethyl)hexan-3-amine
SMILESCCCC(CC)NCC(F)(F)F
InChIInChI=1S/C8H16F3N/c1-3-5-7(4-2)12-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyHIQQZRYELQYQNQ-UHFFFAOYSA-N
MW183.22 g/mol
LogP2.72
Rot. Bonds5

About N-(2,2,2-trifluoroethyl)hexan-3-amine

N-(2,2,2-trifluoroethyl)hexan-3-amine (PubChem CID 62117454) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)hexan-3-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)hexan-3-amine
PubChem CID62117454
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC NameN-(2,2,2-trifluoroethyl)hexan-3-amine
SMILESCCCC(CC)NCC(F)(F)F
InChIInChI=1S/C8H16F3N/c1-3-5-7(4-2)12-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyHIQQZRYELQYQNQ-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)hexan-3-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)hexan-3-amine (CID 62117454) is N-(2,2,2-trifluoroethyl)hexan-3-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)hexan-3-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)hexan-3-amine is CCCC(CC)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)hexan-3-amine?
The InChIKey is HIQQZRYELQYQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N/c1-3-5-7(4-2)12-6-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of N-(2,2,2-trifluoroethyl)hexan-3-amine?
N-(2,2,2-trifluoroethyl)hexan-3-amine has a molecular weight of 183.22 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)hexan-3-amine is sourced from PubChem (CID 62117454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).