6,6,6-trifluoro-N,2-dimethylhexan-1-amine

C8H16F3N — CID 116536282

IUPAC6,6,6-trifluoro-N,2-dimethylhexan-1-amine
SMILESCNCC(C)CCCC(F)(F)F
InChIInChI=1S/C8H16F3N/c1-7(6-12-2)4-3-5-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyIRLSIAKSQYJEDW-UHFFFAOYSA-N
MW183.22 g/mol
LogP2.57
Rot. Bonds5

About 6,6,6-trifluoro-N,2-dimethylhexan-1-amine

6,6,6-trifluoro-N,2-dimethylhexan-1-amine (PubChem CID 116536282) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is 6,6,6-trifluoro-N,2-dimethylhexan-1-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N,2-dimethylhexan-1-amine
PubChem CID116536282
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC Name6,6,6-trifluoro-N,2-dimethylhexan-1-amine
SMILESCNCC(C)CCCC(F)(F)F
InChIInChI=1S/C8H16F3N/c1-7(6-12-2)4-3-5-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyIRLSIAKSQYJEDW-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N',2-trimethylpentane-1,5-diamine
CID 18952778
7,7,7-trifluoro-3-methylheptan-1-amine
CID 116536083
N,2,6-trimethylhept-6-en-1-amine
CID 114477309
2-methyl-1-N-(5,5,5-trifluoropentyl)heptane-1,6-diamine
CID 115520367
8,8,8-trifluoro-1-methoxy-N,2-dimethyloctan-4-amine
CID 105174487
1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
CID 162503519
2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine
CID 114899374
N,N',2-trimethylbutane-1,4-diamine
CID 118562812
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane
CID 169212435
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
CID 116534085

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N,2-dimethylhexan-1-amine?
The IUPAC name of 6,6,6-trifluoro-N,2-dimethylhexan-1-amine (CID 116536282) is 6,6,6-trifluoro-N,2-dimethylhexan-1-amine.
What is the SMILES notation for 6,6,6-trifluoro-N,2-dimethylhexan-1-amine?
The canonical SMILES for 6,6,6-trifluoro-N,2-dimethylhexan-1-amine is CNCC(C)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-N,2-dimethylhexan-1-amine?
The InChIKey is IRLSIAKSQYJEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N/c1-7(6-12-2)4-3-5-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-N,2-dimethylhexan-1-amine?
6,6,6-trifluoro-N,2-dimethylhexan-1-amine has a molecular weight of 183.22 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N,2-dimethylhexan-1-amine is sourced from PubChem (CID 116536282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).