N-(2,2,2-trifluoroethyl)pent-1-en-2-amine

C7H12F3N — CID 170178484

IUPACN-(2,2,2-trifluoroethyl)pent-1-en-2-amine
SMILESC=C(CCC)NCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-3-4-6(2)11-5-7(8,9)10/h11H,2-5H2,1H3
InChIKeyZKXVOJFJVPUKGA-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.45
Rot. Bonds4

About N-(2,2,2-trifluoroethyl)pent-1-en-2-amine

N-(2,2,2-trifluoroethyl)pent-1-en-2-amine (PubChem CID 170178484) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)pent-1-en-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)pent-1-en-2-amine
PubChem CID170178484
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC NameN-(2,2,2-trifluoroethyl)pent-1-en-2-amine
SMILESC=C(CCC)NCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-3-4-6(2)11-5-7(8,9)10/h11H,2-5H2,1H3
InChIKeyZKXVOJFJVPUKGA-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)hexanamide
CID 140847076
(1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine
CID 145422882
3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 170259901
N-[1-(methylideneamino)ethenyl]pent-1-en-2-amine
CID 135244602
N-(2,2,2-trifluoroethyl)acetamide
CID 23168969
(5R)-5-[3-(1-methoxyethenyl)-2-methylindol-1-yl]-N-(2,2,2-trifluoroethyl)hex-1-en-2-amine
CID 167042166
N-[(3-methylphenyl)methyl]pent-1-en-2-amine
CID 166967486
3-methyl-1-(2,2,2-trifluoroethylamino)but-3-en-2-one
CID 116588575
(E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine
CID 129167754
[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]azanium chloride
CID 90216700
2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 62337065
3-chloro-5-[(pent-1-en-2-ylamino)methyl]phenol
CID 166967449

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)pent-1-en-2-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)pent-1-en-2-amine (CID 170178484) is N-(2,2,2-trifluoroethyl)pent-1-en-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)pent-1-en-2-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)pent-1-en-2-amine is C=C(CCC)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)pent-1-en-2-amine?
The InChIKey is ZKXVOJFJVPUKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-3-4-6(2)11-5-7(8,9)10/h11H,2-5H2,1H3.
What are the key properties of N-(2,2,2-trifluoroethyl)pent-1-en-2-amine?
N-(2,2,2-trifluoroethyl)pent-1-en-2-amine has a molecular weight of 167.17 g/mol, XLogP of 2.45, 4 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)pent-1-en-2-amine is sourced from PubChem (CID 170178484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).