(2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine

C10H14F3N — CID 144787935

IUPAC(2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine
SMILESC=C/C=C(\C(N)C1CCC1)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-2-4-8(10(11,12)13)9(14)7-5-3-6-7/h2,4,7,9H,1,3,5-6,14H2/b8-4+
InChIKeyPFEJFWVARTWSTG-XBXARRHUSA-N
MW205.22 g/mol
LogP2.79
Rot. Bonds3

About (2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine

(2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine (PubChem CID 144787935) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine
PubChem CID144787935
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine
SMILESC=C/C=C(\C(N)C1CCC1)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-2-4-8(10(11,12)13)9(14)7-5-3-6-7/h2,4,7,9H,1,3,5-6,14H2/b8-4+
InChIKeyPFEJFWVARTWSTG-XBXARRHUSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride
CID 127264190
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CID 112575215
1-cyclopentyl-2,2-difluoropropan-1-amine
CID 84651643
(1R)-1-cyclobutyl-3,3,3-trifluoropropan-1-amine
CID 55293378
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CID 105153206
2-amino-2-cyclopropylacetyl chloride
CID 55289938
(2S)-2-amino-N-cyclobutyl-2-cyclohexylacetamide
CID 70337031
[(1S)-1-cyclohexyl-2,2-difluorobut-3-enyl] acetate
CID 101216406
3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
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CID 59946338

Frequently Asked Questions

What is the IUPAC name of (2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine?
The IUPAC name of (2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine (CID 144787935) is (2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine is C=C/C=C(\C(N)C1CCC1)C(F)(F)F.
What is the InChIKey of (2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine?
The InChIKey is PFEJFWVARTWSTG-XBXARRHUSA-N. The full InChI is InChI=1S/C10H14F3N/c1-2-4-8(10(11,12)13)9(14)7-5-3-6-7/h2,4,7,9H,1,3,5-6,14H2/b8-4+.
What are the key properties of (2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine?
(2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine has a molecular weight of 205.22 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 144787935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).