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

C9H18F3N — CID 63226562

IUPACN-(3,3,3-trifluoropropyl)hexan-2-amine
SMILESCCCCC(C)NCCC(F)(F)F
InChIInChI=1S/C9H18F3N/c1-3-4-5-8(2)13-7-6-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeySMHYXBKLSYKFGJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.11
Rot. Bonds6

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

N-(3,3,3-trifluoropropyl)hexan-2-amine (PubChem CID 63226562) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)hexan-2-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)hexan-2-amine
PubChem CID63226562
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC NameN-(3,3,3-trifluoropropyl)hexan-2-amine
SMILESCCCCC(C)NCCC(F)(F)F
InChIInChI=1S/C9H18F3N/c1-3-4-5-8(2)13-7-6-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeySMHYXBKLSYKFGJ-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
6,6,6-trifluoro-N-hexylhexan-2-amine
CID 116534124
N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 62199109
N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine
CID 79257480
N-(2,2,2-trifluoroethyl)nonan-2-amine
CID 43129666
5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343293
(2R)-N-(2-fluoroethyl)heptan-2-amine
CID 124512751
3-(4,4,4-trifluorobutylamino)butan-1-ol
CID 83177888
N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine
CID 82955623
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
N-heptan-2-ylheptan-1-amine
CID 43572726

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)hexan-2-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)hexan-2-amine (CID 63226562) is N-(3,3,3-trifluoropropyl)hexan-2-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)hexan-2-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)hexan-2-amine is CCCCC(C)NCCC(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoropropyl)hexan-2-amine?
The InChIKey is SMHYXBKLSYKFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-3-4-5-8(2)13-7-6-9(10,11)12/h8,13H,3-7H2,1-2H3.
What are the key properties of N-(3,3,3-trifluoropropyl)hexan-2-amine?
N-(3,3,3-trifluoropropyl)hexan-2-amine has a molecular weight of 197.24 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)hexan-2-amine is sourced from PubChem (CID 63226562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).