(6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine

C20H35F2N — CID 130242904

IUPAC(6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine
SMILESCCCCC(=C/C=C(\C)CC(C)(C)CCCNCC)/C(F)=C/F
InChIInChI=1S/C20H35F2N/c1-6-8-10-18(19(22)16-21)12-11-17(3)15-20(4,5)13-9-14-23-7-2/h11-12,16,23H,6-10,13-15H2,1-5H3/b17-11+,18-12-,19-16-
InChIKeyNUFNPHMFYHZSGK-GEALJCBXSA-N
MW327.50 g/mol
LogP6.64
Rot. Bonds12

About (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine

(6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine (PubChem CID 130242904) has the molecular formula C20H35F2N and a molecular weight of 327.50 g/mol. Its IUPAC name is (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine.

Molecular Properties

Compound Name(6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine
PubChem CID130242904
Molecular FormulaC20H35F2N
Molecular Weight327.50 g/mol
Exact Mass327.27
IUPAC Name(6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine
SMILESCCCCC(=C/C=C(\C)CC(C)(C)CCCNCC)/C(F)=C/F
InChIInChI=1S/C20H35F2N/c1-6-8-10-18(19(22)16-21)12-11-17(3)15-20(4,5)13-9-14-23-7-2/h11-12,16,23H,6-10,13-15H2,1-5H3/b17-11+,18-12-,19-16-
InChIKeyNUFNPHMFYHZSGK-GEALJCBXSA-N
XLogP6.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.50
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine?
The IUPAC name of (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine (CID 130242904) is (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine.
What is the SMILES notation for (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine?
The canonical SMILES for (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine is CCCCC(=C/C=C(\C)CC(C)(C)CCCNCC)/C(F)=C/F.
What is the InChIKey of (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine?
The InChIKey is NUFNPHMFYHZSGK-GEALJCBXSA-N. The full InChI is InChI=1S/C20H35F2N/c1-6-8-10-18(19(22)16-21)12-11-17(3)15-20(4,5)13-9-14-23-7-2/h11-12,16,23H,6-10,13-15H2,1-5H3/b17-11+,18-12-,19-16-.
What are the key properties of (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine?
(6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine has a molecular weight of 327.50 g/mol, XLogP of 6.64, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine is sourced from PubChem (CID 130242904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).