N-(2,2,2-trifluoroethyl)butan-2-amine

C6H12F3N — CID 24705093

IUPACN-(2,2,2-trifluoroethyl)butan-2-amine
SMILESCCC(C)NCC(F)(F)F
InChIInChI=1S/C6H12F3N/c1-3-5(2)10-4-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyWQZJSZUKKVQKEC-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.94
Rot. Bonds3

About N-(2,2,2-trifluoroethyl)butan-2-amine

N-(2,2,2-trifluoroethyl)butan-2-amine (PubChem CID 24705093) has the molecular formula C6H12F3N and a molecular weight of 155.16 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)butan-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)butan-2-amine
PubChem CID24705093
Molecular FormulaC6H12F3N
Molecular Weight155.16 g/mol
Exact Mass155.09
IUPAC NameN-(2,2,2-trifluoroethyl)butan-2-amine
SMILESCCC(C)NCC(F)(F)F
InChIInChI=1S/C6H12F3N/c1-3-5(2)10-4-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyWQZJSZUKKVQKEC-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Isopropylpropylamine
CID 89119
2-Butanamine, N-ethyl-
CID 89416
N-Ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine
CID 54573643
Propyl(2,2,2-trifluoroethyl)amine
CID 12788571
N-(2,2,2-trifluoroethyl)-2-propanamine
CID 22103697
Methyl(3,3,3-trifluoropropyl)amine
CID 43090333
2,2-difluoro-N-methylcyclopropan-1-amine hydrochloride
CID 19782780
Tert-butyl(2,2,2-trifluoroethyl)amine
CID 20626700
Diisopropylamine dihydrofluoride
CID 22597313
Bis(3,3,3-trifluoropropyl)amine
CID 26941379
N-(2,2,2-trifluoroethyl)propan-2-amine hydrochloride
CID 42919627
N-(2,2,2-trifluoroethyl)cyclopropanamine hydrochloride
CID 43810684

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)butan-2-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)butan-2-amine (CID 24705093) is N-(2,2,2-trifluoroethyl)butan-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)butan-2-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)butan-2-amine is CCC(C)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)butan-2-amine?
The InChIKey is WQZJSZUKKVQKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N/c1-3-5(2)10-4-6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of N-(2,2,2-trifluoroethyl)butan-2-amine?
N-(2,2,2-trifluoroethyl)butan-2-amine has a molecular weight of 155.16 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)butan-2-amine is sourced from PubChem (CID 24705093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).