4-methyl-2-(trifluoromethyl)pent-1-en-3-amine

C7H12F3N — CID 130564792

IUPAC4-methyl-2-(trifluoromethyl)pent-1-en-3-amine
SMILESC=C(C(N)C(C)C)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-4(2)6(11)5(3)7(8,9)10/h4,6H,3,11H2,1-2H3
InChIKeyLPMFJUYRVOMNJK-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.09
Rot. Bonds2

About 4-methyl-2-(trifluoromethyl)pent-1-en-3-amine

4-methyl-2-(trifluoromethyl)pent-1-en-3-amine (PubChem CID 130564792) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)pent-1-en-3-amine.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)pent-1-en-3-amine
PubChem CID130564792
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name4-methyl-2-(trifluoromethyl)pent-1-en-3-amine
SMILESC=C(C(N)C(C)C)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-4(2)6(11)5(3)7(8,9)10/h4,6H,3,11H2,1-2H3
InChIKeyLPMFJUYRVOMNJK-UHFFFAOYSA-N
XLogP2.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-Difluoro-4-methylpent-4-en-2-amine
CID 13116879
4-(Trifluoromethyl)pent-4-en-2-amine
CID 134408942
(2R)-1,1-difluoro-4-methylpent-4-en-2-amine
CID 170585135
1,1,1-Trifluoro-5-methylhex-5-en-3-amine
CID 79179983
5,5,5-Trifluoro-2-methylpent-1-en-3-amine
CID 79189964
6,6,6-Trifluoro-2-methylhex-1-en-3-amine
CID 79953583
1,1,1-Trifluoro-2-(trifluoromethyl)hex-5-en-3-amine
CID 103311756
1,1,1-Trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine
CID 103312103
5,5,5-Trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine
CID 103312110
5,5,5-trifluoro-N,2-dimethyl-4-(trifluoromethyl)pent-1-en-3-amine
CID 103312111
1,1-Difluoro-3-methylbut-3-en-2-amine
CID 103516835
1,1,1-Trifluoro-4-methylpent-4-en-2-amine
CID 105003837

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)pent-1-en-3-amine?
The IUPAC name of 4-methyl-2-(trifluoromethyl)pent-1-en-3-amine (CID 130564792) is 4-methyl-2-(trifluoromethyl)pent-1-en-3-amine.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)pent-1-en-3-amine?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)pent-1-en-3-amine is C=C(C(N)C(C)C)C(F)(F)F.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)pent-1-en-3-amine?
The InChIKey is LPMFJUYRVOMNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-4(2)6(11)5(3)7(8,9)10/h4,6H,3,11H2,1-2H3.
What are the key properties of 4-methyl-2-(trifluoromethyl)pent-1-en-3-amine?
4-methyl-2-(trifluoromethyl)pent-1-en-3-amine has a molecular weight of 167.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)pent-1-en-3-amine is sourced from PubChem (CID 130564792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).