1,1,1-trifluoro-N-methylhexan-3-amine

C7H14F3N — CID 61392651

IUPAC1,1,1-trifluoro-N-methylhexan-3-amine
SMILESCCCC(CC(F)(F)F)NC
InChIInChI=1S/C7H14F3N/c1-3-4-6(11-2)5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyCDZKNVWVCOKBLY-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.33
Rot. Bonds4

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

1,1,1-trifluoro-N-methylhexan-3-amine (PubChem CID 61392651) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methylhexan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methylhexan-3-amine
PubChem CID61392651
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name1,1,1-trifluoro-N-methylhexan-3-amine
SMILESCCCC(CC(F)(F)F)NC
InChIInChI=1S/C7H14F3N/c1-3-4-6(11-2)5-7(8,9)10/h6,11H,3-5H2,1-2H3
InChIKeyCDZKNVWVCOKBLY-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 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 ≤ 52.33
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-methylhexan-3-amine?
The IUPAC name of 1,1,1-trifluoro-N-methylhexan-3-amine (CID 61392651) is 1,1,1-trifluoro-N-methylhexan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methylhexan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methylhexan-3-amine is CCCC(CC(F)(F)F)NC.
What is the InChIKey of 1,1,1-trifluoro-N-methylhexan-3-amine?
The InChIKey is CDZKNVWVCOKBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N/c1-3-4-6(11-2)5-7(8,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-methylhexan-3-amine?
1,1,1-trifluoro-N-methylhexan-3-amine has a molecular weight of 169.19 g/mol, XLogP of 2.33, 4 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-methylhexan-3-amine is sourced from PubChem (CID 61392651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).