(2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine

C6H8F3N — CID 135208111

IUPAC(2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine
SMILESC=C/C=C(\C)NC(F)(F)F
InChIInChI=1S/C6H8F3N/c1-3-4-5(2)10-6(7,8)9/h3-4,10H,1H2,2H3/b5-4+
InChIKeySMQSEFHIYCHVKY-SNAWJCMRSA-N
MW151.13 g/mol
LogP2.19
Rot. Bonds2

About (2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine

(2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine (PubChem CID 135208111) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is (2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine
PubChem CID135208111
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name(2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine
SMILESC=C/C=C(\C)NC(F)(F)F
InChIInChI=1S/C6H8F3N/c1-3-4-5(2)10-6(7,8)9/h3-4,10H,1H2,2H3/b5-4+
InChIKeySMQSEFHIYCHVKY-SNAWJCMRSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E)-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine
CID 88890596
(3Z,5E)-5-fluorohepta-1,3,5-trien-2-amine
CID 88936391
(2Z,4Z)-5-fluoropenta-2,4-dien-2-amine
CID 89029579
(2E,4E)-5,6-difluorohexa-2,4-dien-2-amine
CID 89073850
(2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine
CID 89153748
(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-amine
CID 89189499
(2E,4E)-5-fluorohepta-2,4,6-trien-2-amine
CID 89259791
(2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine
CID 89336329
(2E,4E)-5-fluorohexa-2,4-dien-2-amine
CID 89336345
(3E,5E)-6-fluorohepta-1,3,5-trien-3-amine
CID 90222218
(2E,4Z)-6-fluorohepta-2,4,6-trien-3-amine
CID 117792003
(2E,4E)-3,5-difluorohepta-2,4,6-trien-2-amine
CID 122599448

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine?
The IUPAC name of (2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine (CID 135208111) is (2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine is C=C/C=C(\C)NC(F)(F)F.
What is the InChIKey of (2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine?
The InChIKey is SMQSEFHIYCHVKY-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H8F3N/c1-3-4-5(2)10-6(7,8)9/h3-4,10H,1H2,2H3/b5-4+.
What are the key properties of (2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine?
(2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine has a molecular weight of 151.13 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(trifluoromethyl)penta-2,4-dien-2-amine is sourced from PubChem (CID 135208111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).