ethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine

C11H20FN — CID 142239852

IUPACethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
SMILESC=C/C(F)=C\C(=C/C)CNC.CC
InChIInChI=1S/C9H14FN.C2H6/c1-4-8(7-11-3)6-9(10)5-2;1-2/h4-6,11H,2,7H2,1,3H3;1-2H3/b8-4+,9-6+;
InChIKeyVMERHAVWSLXNRQ-HQSPKJHHSA-N
MW185.29 g/mol
LogP3.22
Rot. Bonds4

About ethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine

ethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine (PubChem CID 142239852) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is ethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Nameethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
PubChem CID142239852
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Nameethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
SMILESC=C/C(F)=C\C(=C/C)CNC.CC
InChIInChI=1S/C9H14FN.C2H6/c1-4-8(7-11-3)6-9(10)5-2;1-2/h4-6,11H,2,7H2,1,3H3;1-2H3/b8-4+,9-6+;
InChIKeyVMERHAVWSLXNRQ-HQSPKJHHSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 53.22
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

1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(3Z,5E)-6-fluoro-N,2-dimethylocta-3,5,7-trien-1-amine
CID 88267348
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
(Z)-5-fluoro-2-methylidenehept-3-en-1-amine
CID 89090828
(E)-2-ethenyl-5-fluorohex-2-en-1-amine
CID 89126655
(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
(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 89228068
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine?
The IUPAC name of ethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine (CID 142239852) is ethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine.
What is the SMILES notation for ethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine?
The canonical SMILES for ethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine is C=C/C(F)=C\C(=C/C)CNC.CC.
What is the InChIKey of ethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine?
The InChIKey is VMERHAVWSLXNRQ-HQSPKJHHSA-N. The full InChI is InChI=1S/C9H14FN.C2H6/c1-4-8(7-11-3)6-9(10)5-2;1-2/h4-6,11H,2,7H2,1,3H3;1-2H3/b8-4+,9-6+;.
What are the key properties of ethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine?
ethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine has a molecular weight of 185.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine is sourced from PubChem (CID 142239852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).