(3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine

C16H23F2N — CID 166966272

IUPAC(3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine
SMILESC=C/C(C(=C)/C=C\C(=C/C)C(F)F)=C(/CC)N(C)C
InChIInChI=1S/C16H23F2N/c1-7-13(16(17)18)11-10-12(4)14(8-2)15(9-3)19(5)6/h7-8,10-11,16H,2,4,9H2,1,3,5-6H3/b11-10-,13-7+,15-14+
InChIKeyPNFGFMVLHMERHL-DYSZJUKTSA-N
MW267.36 g/mol
LogP4.72
Rot. Bonds7

About (3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine

(3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine (PubChem CID 166966272) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is (3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine.

Molecular Properties

Compound Name(3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine
PubChem CID166966272
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name(3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine
SMILESC=C/C(C(=C)/C=C\C(=C/C)C(F)F)=C(/CC)N(C)C
InChIInChI=1S/C16H23F2N/c1-7-13(16(17)18)11-10-12(4)14(8-2)15(9-3)19(5)6/h7-8,10-11,16H,2,4,9H2,1,3,5-6H3/b11-10-,13-7+,15-14+
InChIKeyPNFGFMVLHMERHL-DYSZJUKTSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine with MolForge

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Related Compounds

2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
(Z)-1-N-[(3E)-4-(difluoromethyl)hexa-1,3,5-trien-2-yl]-1-N,2-N,2-N-trimethylprop-1-ene-1,2,3-triamine
CID 145351431
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
N-ethyl-N-methylbuta-1,3-dien-2-amine
CID 123199652
N,N-dimethylmethanamine;2-methylbut-1-ene
CID 88812091
(4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene
CID 143567445
(E)-N,N,4-trimethylhex-3-en-3-amine
CID 163931097
(2E,4Z,7E,11E)-8-butan-2-yl-3-(1-fluoroethyl)-7,11,14-trimethyl-6-methylidenepentadeca-2,4,7,11,13-pentaene
CID 167046089
5-ethyl-3,4-dimethylidenehepta-1,5-diene
CID 91458758
ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene
CID 163367523
(3E)-4-(difluoromethyl)-2,6-dimethylhepta-1,3,5-triene
CID 88886456
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245

Frequently Asked Questions

What is the IUPAC name of (3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine?
The IUPAC name of (3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine (CID 166966272) is (3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine.
What is the SMILES notation for (3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine?
The canonical SMILES for (3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine is C=C/C(C(=C)/C=C\C(=C/C)C(F)F)=C(/CC)N(C)C.
What is the InChIKey of (3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine?
The InChIKey is PNFGFMVLHMERHL-DYSZJUKTSA-N. The full InChI is InChI=1S/C16H23F2N/c1-7-13(16(17)18)11-10-12(4)14(8-2)15(9-3)19(5)6/h7-8,10-11,16H,2,4,9H2,1,3,5-6H3/b11-10-,13-7+,15-14+.
What are the key properties of (3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine?
(3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine has a molecular weight of 267.36 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z,8E)-8-(difluoromethyl)-4-ethenyl-N,N-dimethyl-5-methylidenedeca-3,6,8-trien-3-amine is sourced from PubChem (CID 166966272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).