(E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine

C6H10F3N — CID 118395144

IUPAC(E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine
SMILESC/C(=C\C(C)N)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-4(3-5(2)10)6(7,8)9/h3,5H,10H2,1-2H3/b4-3+
InChIKeyJHEBRIPGRIQJBP-ONEGZZNKSA-N
MW153.15 g/mol
LogP1.84
Rot. Bonds1

About (E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine

(E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine (PubChem CID 118395144) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is (E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine.

Molecular Properties

Compound Name(E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine
PubChem CID118395144
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name(E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine
SMILESC/C(=C\C(C)N)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-4(3-5(2)10)6(7,8)9/h3,5H,10H2,1-2H3/b4-3+
InChIKeyJHEBRIPGRIQJBP-ONEGZZNKSA-N
XLogP1.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.84
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

5,5-Difluoro-pent-2-ene-1,4-diamine
CID 20466280
4-Methylpent-3-en-2-amine
CID 14949967
Trimethylallyl ammonium chloride
CID 87293548
(E)-5-fluoro-2-methylpent-2-ene-1,4-diamine
CID 13109093
(3E)-1-fluoro-3-penten-2-amine
CID 20466291
(E)-1,1-difluorohex-3-ene-2,5-diamine
CID 20466297
(E)-1,1-difluorohept-3-ene-2,5-diamine
CID 20466302
(E)-1,1-difluoro-3-methylhex-3-ene-2,5-diamine
CID 20476188
(E)-1,1-difluoro-4-methylhept-3-ene-2,5-diamine
CID 20476198
(E)-1-fluoro-4-methylhex-3-ene-2,5-diamine
CID 20476210
(E)-5-fluoro-3-methylpent-2-ene-1,4-diamine
CID 22825119
(E)-5,5-difluoro-3-methylpent-2-ene-1,4-diamine
CID 22825121

Frequently Asked Questions

What is the IUPAC name of (E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine?
The IUPAC name of (E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine (CID 118395144) is (E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine.
What is the SMILES notation for (E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine?
The canonical SMILES for (E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine is C/C(=C\C(C)N)C(F)(F)F.
What is the InChIKey of (E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine?
The InChIKey is JHEBRIPGRIQJBP-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H10F3N/c1-4(3-5(2)10)6(7,8)9/h3,5H,10H2,1-2H3/b4-3+.
What are the key properties of (E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine?
(E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine has a molecular weight of 153.15 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine is sourced from PubChem (CID 118395144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).