(6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene

C14H22F2 — CID 134556295

IUPAC(6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene
SMILESC=C(C)C(F)(F)CC/C(=C/C=C(C)C)CC
InChIInChI=1S/C14H22F2/c1-6-13(8-7-11(2)3)9-10-14(15,16)12(4)5/h7-8H,4,6,9-10H2,1-3,5H3/b13-8+
InChIKeyGZXSMEBBVRSGNI-MDWZMJQESA-N
MW228.33 g/mol
LogP5.28
Rot. Bonds6

About (6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene

(6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene (PubChem CID 134556295) has the molecular formula C14H22F2 and a molecular weight of 228.33 g/mol. Its IUPAC name is (6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene.

Molecular Properties

Compound Name(6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene
PubChem CID134556295
Molecular FormulaC14H22F2
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene
SMILESC=C(C)C(F)(F)CC/C(=C/C=C(C)C)CC
InChIInChI=1S/C14H22F2/c1-6-13(8-7-11(2)3)9-10-14(15,16)12(4)5/h7-8H,4,6,9-10H2,1-3,5H3/b13-8+
InChIKeyGZXSMEBBVRSGNI-MDWZMJQESA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.33
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-difluoro-2-methylhept-1-ene
CID 154971061
N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine
CID 143137325
2,5-dimethylhepta-2,4-diene
CID 54097255
3-ethyl-6-methylideneoct-2-ene
CID 123634534
3,3,4,4,7,7,8,8-octafluoro-2-methyl-5,6,9-trimethylideneundec-1-ene
CID 144809560
(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene
CID 176966734
N-[(2Z)-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 143072468
(3E)-2,6-dimethylhepta-1,3,5-trien-3-amine
CID 137466995
ethane;(3E)-4-ethyl-2-methylhepta-1,3-diene
CID 168939588
(3E)-2-fluoro-3-methoxy-6-methylhepta-1,3,5-triene
CID 143367973
methane;(4Z)-2-methyl-6-methylideneocta-2,4-diene
CID 145083529
methanamine;1,1,1-trifluoropropane;hydrochloride
CID 175403135

Frequently Asked Questions

What is the IUPAC name of (6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene?
The IUPAC name of (6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene (CID 134556295) is (6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene.
What is the SMILES notation for (6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene?
The canonical SMILES for (6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene is C=C(C)C(F)(F)CC/C(=C/C=C(C)C)CC.
What is the InChIKey of (6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene?
The InChIKey is GZXSMEBBVRSGNI-MDWZMJQESA-N. The full InChI is InChI=1S/C14H22F2/c1-6-13(8-7-11(2)3)9-10-14(15,16)12(4)5/h7-8H,4,6,9-10H2,1-3,5H3/b13-8+.
What are the key properties of (6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene?
(6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene has a molecular weight of 228.33 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-ethyl-3,3-difluoro-2,9-dimethyldeca-1,6,8-triene is sourced from PubChem (CID 134556295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).