1,1,1-trifluoro-2,4,4-trimethylhexan-2-amine

C9H18F3N — CID 166671386

IUPAC1,1,1-trifluoro-2,4,4-trimethylhexan-2-amine
SMILESCCC(C)(C)CC(C)(N)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-5-7(2,3)6-8(4,13)9(10,11)12/h5-6,13H2,1-4H3
InChIKeyKNWVVMINOZWTJE-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.09
Rot. Bonds3

About 1,1,1-trifluoro-2,4,4-trimethylhexan-2-amine

1,1,1-trifluoro-2,4,4-trimethylhexan-2-amine (PubChem CID 166671386) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,4,4-trimethylhexan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2,4,4-trimethylhexan-2-amine
PubChem CID166671386
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC Name1,1,1-trifluoro-2,4,4-trimethylhexan-2-amine
SMILESCCC(C)(C)CC(C)(N)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-5-7(2,3)6-8(4,13)9(10,11)12/h5-6,13H2,1-4H3
InChIKeyKNWVVMINOZWTJE-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.09
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-2,4,4-trimethylhexan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2,4,4-trimethylhexan-2-amine (CID 166671386) is 1,1,1-trifluoro-2,4,4-trimethylhexan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2,4,4-trimethylhexan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2,4,4-trimethylhexan-2-amine is CCC(C)(C)CC(C)(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,4,4-trimethylhexan-2-amine?
The InChIKey is KNWVVMINOZWTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-5-7(2,3)6-8(4,13)9(10,11)12/h5-6,13H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2,4,4-trimethylhexan-2-amine?
1,1,1-trifluoro-2,4,4-trimethylhexan-2-amine has a molecular weight of 197.24 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,4,4-trimethylhexan-2-amine is sourced from PubChem (CID 166671386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).