2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine

C9H18F3N — CID 87186007

IUPAC2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine
SMILESCCC(C)C(N)(C(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-5-7(4)8(13,6(2)3)9(10,11)12/h6-7H,5,13H2,1-4H3
InChIKeyWVONYLIKEZVNKH-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.95
Rot. Bonds3

About 2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine

2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine (PubChem CID 87186007) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is 2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine
PubChem CID87186007
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC Name2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine
SMILESCCC(C)C(N)(C(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-5-7(4)8(13,6(2)3)9(10,11)12/h6-7H,5,13H2,1-4H3
InChIKeyWVONYLIKEZVNKH-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine?
The IUPAC name of 2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine (CID 87186007) is 2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine.
What is the SMILES notation for 2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine?
The canonical SMILES for 2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine is CCC(C)C(N)(C(C)C)C(F)(F)F.
What is the InChIKey of 2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine?
The InChIKey is WVONYLIKEZVNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-5-7(4)8(13,6(2)3)9(10,11)12/h6-7H,5,13H2,1-4H3.
What are the key properties of 2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine?
2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine has a molecular weight of 197.24 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine is sourced from PubChem (CID 87186007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).