6,6,6-trifluoro-N-hexylhexan-2-amine

C12H24F3N — CID 116534124

IUPAC6,6,6-trifluoro-N-hexylhexan-2-amine
SMILESCCCCCCNC(C)CCCC(F)(F)F
InChIInChI=1S/C12H24F3N/c1-3-4-5-6-10-16-11(2)8-7-9-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyRKBQTOLFUNWWPI-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.28
Rot. Bonds9

About 6,6,6-trifluoro-N-hexylhexan-2-amine

6,6,6-trifluoro-N-hexylhexan-2-amine (PubChem CID 116534124) has the molecular formula C12H24F3N and a molecular weight of 239.32 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-hexylhexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-hexylhexan-2-amine
PubChem CID116534124
Molecular FormulaC12H24F3N
Molecular Weight239.32 g/mol
Exact Mass239.19
IUPAC Name6,6,6-trifluoro-N-hexylhexan-2-amine
SMILESCCCCCCNC(C)CCCC(F)(F)F
InChIInChI=1S/C12H24F3N/c1-3-4-5-6-10-16-11(2)8-7-9-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyRKBQTOLFUNWWPI-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 63226562
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
(4R)-4-(octylamino)pentan-1-ol
CID 98118615
N-butylundecan-2-amine
CID 90035852
N-pentan-2-ylheptan-1-amine
CID 43129169
3-(4,4,4-trifluorobutylamino)butan-1-ol
CID 83177888
6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine
CID 116534805
3-(octylamino)butan-1-ol
CID 83177243

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-hexylhexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-hexylhexan-2-amine (CID 116534124) is 6,6,6-trifluoro-N-hexylhexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-hexylhexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-hexylhexan-2-amine is CCCCCCNC(C)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-N-hexylhexan-2-amine?
The InChIKey is RKBQTOLFUNWWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N/c1-3-4-5-6-10-16-11(2)8-7-9-12(13,14)15/h11,16H,3-10H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-N-hexylhexan-2-amine?
6,6,6-trifluoro-N-hexylhexan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 4.28, 9 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-hexylhexan-2-amine is sourced from PubChem (CID 116534124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).