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

C8H12FN — CID 143114210

IUPAC(2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CNC)C(=C)F
InChIInChI=1S/C8H12FN/c1-4-5-8(6-10-3)7(2)9/h4-5,10H,1-2,6H2,3H3/b8-5-
InChIKeyXLQARVMSIZXBJU-YVMONPNESA-N
MW141.19 g/mol
LogP1.80
Rot. Bonds4

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

(2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine (PubChem CID 143114210) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine
PubChem CID143114210
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CNC)C(=C)F
InChIInChI=1S/C8H12FN/c1-4-5-8(6-10-3)7(2)9/h4-5,10H,1-2,6H2,3H3/b8-5-
InChIKeyXLQARVMSIZXBJU-YVMONPNESA-N
XLogP1.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.80
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

(2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine
CID 143109442
(3Z)-3-[(E)-1-(methylamino)but-2-en-2-yl]hexa-3,5-dienal
CID 142384554
ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144981154
(2E,4Z)-N-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 142839677
(3Z)-3-[(sulfanylamino)methyl]hexa-1,3,5-triene-2-thiol
CID 143785892
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
(3Z)-3-ethylhexa-1,3,5-trien-2-amine
CID 143431961
3-chloro-2-fluorohexa-1,3,5-triene
CID 123589039
(3E)-4-fluorohexa-1,3-diene
CID 88586520
ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine
CID 156719624
(2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane
CID 156721035
(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
CID 142839788

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine (CID 143114210) is (2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine is C=C/C=C(/CNC)C(=C)F.
What is the InChIKey of (2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine?
The InChIKey is XLQARVMSIZXBJU-YVMONPNESA-N. The full InChI is InChI=1S/C8H12FN/c1-4-5-8(6-10-3)7(2)9/h4-5,10H,1-2,6H2,3H3/b8-5-.
What are the key properties of (2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine?
(2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.80, 4 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-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 143114210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).