(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine

C10H15F2N — CID 129116402

IUPAC(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine
SMILESC=C/C=C\C(=C/C)CNCC(F)F
InChIInChI=1S/C10H15F2N/c1-3-5-6-9(4-2)7-13-8-10(11)12/h3-6,10,13H,1,7-8H2,2H3/b6-5-,9-4+
InChIKeyMLEIWCJDSZOSHR-CXBDEZGUSA-N
MW187.23 g/mol
LogP2.53
Rot. Bonds6

About (2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine

(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine (PubChem CID 129116402) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is (2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine
PubChem CID129116402
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine
SMILESC=C/C=C\C(=C/C)CNCC(F)F
InChIInChI=1S/C10H15F2N/c1-3-5-6-9(4-2)7-13-8-10(11)12/h3-6,10,13H,1,7-8H2,2H3/b6-5-,9-4+
InChIKeyMLEIWCJDSZOSHR-CXBDEZGUSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.53
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,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine?
The IUPAC name of (2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine (CID 129116402) is (2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine.
What is the SMILES notation for (2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine?
The canonical SMILES for (2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine is C=C/C=C\C(=C/C)CNCC(F)F.
What is the InChIKey of (2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine?
The InChIKey is MLEIWCJDSZOSHR-CXBDEZGUSA-N. The full InChI is InChI=1S/C10H15F2N/c1-3-5-6-9(4-2)7-13-8-10(11)12/h3-6,10,13H,1,7-8H2,2H3/b6-5-,9-4+.
What are the key properties of (2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine?
(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine has a molecular weight of 187.23 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine is sourced from PubChem (CID 129116402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).