(3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine

C10H14FN — CID 142956605

IUPAC(3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
SMILESC=C(F)/C=C\C(=C)CNC(=C)C
InChIInChI=1S/C10H14FN/c1-8(2)12-7-9(3)5-6-10(4)11/h5-6,12H,1,3-4,7H2,2H3/b6-5-
InChIKeyJTTBEKMXGPPDTI-WAYWQWQTSA-N
MW167.23 g/mol
LogP2.71
Rot. Bonds5

About (3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine

(3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine (PubChem CID 142956605) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
PubChem CID142956605
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine
SMILESC=C(F)/C=C\C(=C)CNC(=C)C
InChIInChI=1S/C10H14FN/c1-8(2)12-7-9(3)5-6-10(4)11/h5-6,12H,1,3-4,7H2,2H3/b6-5-
InChIKeyJTTBEKMXGPPDTI-WAYWQWQTSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine with MolForge

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Related Compounds

Dihydrocollidin
CID 430194
2,3-Dimethyl-1,4-Azepin
CID 21560535
5-Vinyl-2,3-dihydropyrrole
CID 22160293
1,2-Dihydro-1-azaazulene
CID 129741193
2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine
CID 70333081
2-(Fluoromethyl)-6-methyl-1,2-dihydropyridine
CID 70459541
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(3Z,5Z)-6-methyl-2-N-[(4Z)-3-methylidene-6-(trifluoromethyl)hepta-1,4,6-trien-2-yl]octa-3,5,7-triene-2,3-diamine
CID 88998201
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine (CID 142956605) is (3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine is C=C(F)/C=C\C(=C)CNC(=C)C.
What is the InChIKey of (3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine?
The InChIKey is JTTBEKMXGPPDTI-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H14FN/c1-8(2)12-7-9(3)5-6-10(4)11/h5-6,12H,1,3-4,7H2,2H3/b6-5-.
What are the key properties of (3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine?
(3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine has a molecular weight of 167.23 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-2-methylidene-N-prop-1-en-2-ylhexa-3,5-dien-1-amine is sourced from PubChem (CID 142956605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).