1,1,1-trifluoro-N-propylhexan-3-amine

C9H18F3N — CID 61392655

IUPAC1,1,1-trifluoro-N-propylhexan-3-amine
SMILESCCCNC(CCC)CC(F)(F)F
InChIInChI=1S/C9H18F3N/c1-3-5-8(13-6-4-2)7-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyWJVINTYAGZZYRB-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.11
Rot. Bonds6

About 1,1,1-trifluoro-N-propylhexan-3-amine

1,1,1-trifluoro-N-propylhexan-3-amine (PubChem CID 61392655) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-propylhexan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-propylhexan-3-amine
PubChem CID61392655
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC Name1,1,1-trifluoro-N-propylhexan-3-amine
SMILESCCCNC(CCC)CC(F)(F)F
InChIInChI=1S/C9H18F3N/c1-3-5-8(13-6-4-2)7-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyWJVINTYAGZZYRB-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-propylhexan-3-amine?
The IUPAC name of 1,1,1-trifluoro-N-propylhexan-3-amine (CID 61392655) is 1,1,1-trifluoro-N-propylhexan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-propylhexan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-N-propylhexan-3-amine is CCCNC(CCC)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-propylhexan-3-amine?
The InChIKey is WJVINTYAGZZYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-3-5-8(13-6-4-2)7-9(10,11)12/h8,13H,3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-propylhexan-3-amine?
1,1,1-trifluoro-N-propylhexan-3-amine has a molecular weight of 197.24 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-propylhexan-3-amine is sourced from PubChem (CID 61392655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).