(2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine

C19H27F2N — CID 167067959

IUPAC(2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine
SMILESC=C(/C(F)=C\C)/C(N/C=C/C)=C(CC(C)F)\C(/C=C\C)=C\C
InChIInChI=1S/C19H27F2N/c1-7-11-16(9-3)17(13-14(5)20)19(22-12-8-2)15(6)18(21)10-4/h7-12,14,22H,6,13H2,1-5H3/b11-7-,12-8+,16-9+,18-10+,19-17+
InChIKeyZNXROBYHZVBDJK-UQZHOAHWSA-N
MW307.43 g/mol
LogP6.06
Rot. Bonds8

About (2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine

(2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine (PubChem CID 167067959) has the molecular formula C19H27F2N and a molecular weight of 307.43 g/mol. Its IUPAC name is (2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine.

Molecular Properties

Compound Name(2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine
PubChem CID167067959
Molecular FormulaC19H27F2N
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine
SMILESC=C(/C(F)=C\C)/C(N/C=C/C)=C(CC(C)F)\C(/C=C\C)=C\C
InChIInChI=1S/C19H27F2N/c1-7-11-16(9-3)17(13-14(5)20)19(22-12-8-2)15(6)18(21)10-4/h7-12,14,22H,6,13H2,1-5H3/b11-7-,12-8+,16-9+,18-10+,19-17+
InChIKeyZNXROBYHZVBDJK-UQZHOAHWSA-N
XLogP6.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.43
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine?
The IUPAC name of (2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine (CID 167067959) is (2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine.
What is the SMILES notation for (2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine?
The canonical SMILES for (2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine is C=C(/C(F)=C\C)/C(N/C=C/C)=C(CC(C)F)\C(/C=C\C)=C\C.
What is the InChIKey of (2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine?
The InChIKey is ZNXROBYHZVBDJK-UQZHOAHWSA-N. The full InChI is InChI=1S/C19H27F2N/c1-7-11-16(9-3)17(13-14(5)20)19(22-12-8-2)15(6)18(21)10-4/h7-12,14,22H,6,13H2,1-5H3/b11-7-,12-8+,16-9+,18-10+,19-17+.
What are the key properties of (2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine?
(2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine has a molecular weight of 307.43 g/mol, XLogP of 6.06, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E,7E,8Z)-7-ethylidene-3-fluoro-6-(2-fluoropropyl)-4-methylidene-N-[(E)-prop-1-enyl]deca-2,5,8-trien-5-amine is sourced from PubChem (CID 167067959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).