(2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine

C10H16FN — CID 138737220

IUPAC(2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine
SMILESC=C/C=C(F)\C(=C/C)CN(C)C
InChIInChI=1S/C10H16FN/c1-5-7-10(11)9(6-2)8-12(3)4/h5-7H,1,8H2,2-4H3/b9-6-,10-7+
InChIKeyVGLRSBPWHFBFSM-PCCLLEMOSA-N
MW169.24 g/mol
LogP2.53
Rot. Bonds4

About (2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine

(2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine (PubChem CID 138737220) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine
PubChem CID138737220
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine
SMILESC=C/C=C(F)\C(=C/C)CN(C)C
InChIInChI=1S/C10H16FN/c1-5-7-10(11)9(6-2)8-12(3)4/h5-7H,1,8H2,2-4H3/b9-6-,10-7+
InChIKeyVGLRSBPWHFBFSM-PCCLLEMOSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 10866427
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CID 11830389
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2-[(Diethylamino)methyl]phenylmagnesium bromide, 0.25M in THF
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2-(Cyclooctatetraenyl)ethyl-trimethylazanium
CID 91292553
1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 22637871
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
(3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine
CID 121388651
7-Fluoro-1,5,6-trimethyl-2,3-dihydroazepine
CID 123322899

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine?
The IUPAC name of (2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine (CID 138737220) is (2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine.
What is the SMILES notation for (2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine?
The canonical SMILES for (2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine is C=C/C=C(F)\C(=C/C)CN(C)C.
What is the InChIKey of (2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine?
The InChIKey is VGLRSBPWHFBFSM-PCCLLEMOSA-N. The full InChI is InChI=1S/C10H16FN/c1-5-7-10(11)9(6-2)8-12(3)4/h5-7H,1,8H2,2-4H3/b9-6-,10-7+.
What are the key properties of (2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine?
(2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine is sourced from PubChem (CID 138737220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).