N-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride

C11H17FN2 — CID 166765756

IUPACN-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride
SMILESC=C/C=N/C(=C(C)/N=C(\C)F)C(C)C
InChIInChI=1S/C11H17FN2/c1-6-7-13-11(8(2)3)9(4)14-10(5)12/h6-8H,1H2,2-5H3/b11-9+,13-7+,14-10+
InChIKeyTUVXMDQEALKZIO-HNNWCNENSA-N
MW196.27 g/mol
LogP3.52
Rot. Bonds4

About N-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride

N-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride (PubChem CID 166765756) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride.

Molecular Properties

Compound NameN-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride
PubChem CID166765756
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride
SMILESC=C/C=N/C(=C(C)/N=C(\C)F)C(C)C
InChIInChI=1S/C11H17FN2/c1-6-7-13-11(8(2)3)9(4)14-10(5)12/h6-8H,1H2,2-5H3/b11-9+,13-7+,14-10+
InChIKeyTUVXMDQEALKZIO-HNNWCNENSA-N
XLogP3.52
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-4-methylpent-2-en-3-yl)prop-2-en-1-imine
CID 91152307
N-[(E)-1,1-difluoro-3-methylpent-2-en-2-yl]prop-2-en-1-imine
CID 117825719
(E)-3-[(3Z)-2,5-dimethylhepta-3,6-dienyl]imino-2-fluoroprop-1-en-1-amine
CID 126499499
(E)-2-fluoro-4-methyl-N-prop-1-en-2-ylhex-2-en-1-imine
CID 139317360
2-fluoro-N-[(Z)-4-methylpent-2-en-3-yl]prop-2-en-1-imine
CID 148963729
(E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine
CID 163739316
(E)-N-[(2E,5E)-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine
CID 163875287
(E)-N-[(2E)-3-fluoro-4-methylidenehepta-2,5,6-trien-2-yl]but-2-en-1-imine
CID 166976469
N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine
CID 166976510
(2Z,6Z)-5-but-1-enyl-7-fluoro-2-methyl-4,5-dihydroazocine
CID 173796339
1-(2-Fluoropropylimino)-4-methylpent-2-en-3-amine
CID 173933086
1-(2-Fluoro-3-methylbut-3-enyl)imino-4-methylpent-2-en-3-amine
CID 173933091

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride?
The IUPAC name of N-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride (CID 166765756) is N-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride.
What is the SMILES notation for N-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride?
The canonical SMILES for N-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride is C=C/C=N/C(=C(C)/N=C(\C)F)C(C)C.
What is the InChIKey of N-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride?
The InChIKey is TUVXMDQEALKZIO-HNNWCNENSA-N. The full InChI is InChI=1S/C11H17FN2/c1-6-7-13-11(8(2)3)9(4)14-10(5)12/h6-8H,1H2,2-5H3/b11-9+,13-7+,14-10+.
What are the key properties of N-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride?
N-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride has a molecular weight of 196.27 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-methyl-3-(prop-2-enylideneamino)pent-2-en-2-yl]ethanimidoyl fluoride is sourced from PubChem (CID 166765756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).