(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine

C10H16FN — CID 142464980

IUPAC(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CNC(C)C)C(=C)F
InChIInChI=1S/C10H16FN/c1-5-6-10(9(4)11)7-12-8(2)3/h5-6,8,12H,1,4,7H2,2-3H3/b10-6-
InChIKeyXRVVBLNFPASONU-POHAHGRESA-N
MW169.24 g/mol
LogP2.58
Rot. Bonds5

About (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine

(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine (PubChem CID 142464980) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine
PubChem CID142464980
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CNC(C)C)C(=C)F
InChIInChI=1S/C10H16FN/c1-5-6-10(9(4)11)7-12-8(2)3/h5-6,8,12H,1,4,7H2,2-3H3/b10-6-
InChIKeyXRVVBLNFPASONU-POHAHGRESA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.58
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

(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(2Z)-3-fluoro-2-methyl-N-propylpenta-2,4-dien-1-amine
CID 90143658
(E,2R)-4-fluoro-N-methyl-3-methylidenehex-4-en-2-amine
CID 117854387
N-[(2E,3Z,6Z)-2-[(E)-4-fluoropent-3-enylidene]-5-methylideneocta-3,6-dienyl]cyclobutanamine
CID 126583169
(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine
CID 129116402
(3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine
CID 130242942
(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
CID 134291684
(2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine
CID 134365692
(2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine
CID 138478269
(2E)-N-(2-fluoroethyl)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 141974143
(3E,4Z)-N-butyl-3-ethylidene-6-fluorohepta-1,4,6-trien-2-amine
CID 142066618

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine (CID 142464980) is (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine is C=C/C=C(/CNC(C)C)C(=C)F.
What is the InChIKey of (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine?
The InChIKey is XRVVBLNFPASONU-POHAHGRESA-N. The full InChI is InChI=1S/C10H16FN/c1-5-6-10(9(4)11)7-12-8(2)3/h5-6,8,12H,1,4,7H2,2-3H3/b10-6-.
What are the key properties of (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine?
(2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-fluoroethenyl)-N-propan-2-ylpenta-2,4-dien-1-amine is sourced from PubChem (CID 142464980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).