6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine

C9H15F6N — CID 116534777

IUPAC6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCCC(F)(F)F
InChIInChI=1S/C9H15F6N/c1-7(3-2-4-8(10,11)12)16-6-5-9(13,14)15/h7,16H,2-6H2,1H3
InChIKeyIGTMMZZVSWYLBT-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.65
Rot. Bonds6

About 6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine

6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine (PubChem CID 116534777) has the molecular formula C9H15F6N and a molecular weight of 251.21 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
PubChem CID116534777
Molecular FormulaC9H15F6N
Molecular Weight251.21 g/mol
Exact Mass251.11
IUPAC Name6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCCC(F)(F)F
InChIInChI=1S/C9H15F6N/c1-7(3-2-4-8(10,11)12)16-6-5-9(13,14)15/h7,16H,2-6H2,1H3
InChIKeyIGTMMZZVSWYLBT-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 63226562
6,6,6-trifluoro-N-hexylhexan-2-amine
CID 116534124
3-(4,4,4-trifluorobutylamino)butan-1-ol
CID 83177888
6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine
CID 116534805
N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
CID 116533966
5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343293
tert-butyl N-[4-(6,6,6-trifluorohexan-2-ylamino)butan-2-yl]carbamate
CID 104925089
6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine
CID 102696096
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
CID 116534085
N-(1-bromopropan-2-yl)-4,4,4-trifluorobutan-1-amine
CID 107859586
3-(3,3,3-trifluoropropylamino)butanamide
CID 115677417
[1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol
CID 116534943

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine (CID 116534777) is 6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine is CC(CCCC(F)(F)F)NCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine?
The InChIKey is IGTMMZZVSWYLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F6N/c1-7(3-2-4-8(10,11)12)16-6-5-9(13,14)15/h7,16H,2-6H2,1H3.
What are the key properties of 6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine?
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine has a molecular weight of 251.21 g/mol, XLogP of 3.65, 6 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-(3,3,3-trifluoropropyl)hexan-2-amine is sourced from PubChem (CID 116534777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).