3-(trifluoromethoxy)nona-2,4-diene

C10H15F3O — CID 123512837

IUPAC3-(trifluoromethoxy)nona-2,4-diene
SMILESCC=C(C=CCCCC)OC(F)(F)F
InChIInChI=1S/C10H15F3O/c1-3-5-6-7-8-9(4-2)14-10(11,12)13/h4,7-8H,3,5-6H2,1-2H3
InChIKeyFAMYOOHAIISANJ-UHFFFAOYSA-N
MW208.22 g/mol
LogP4.17
Rot. Bonds5

About 3-(trifluoromethoxy)nona-2,4-diene

3-(trifluoromethoxy)nona-2,4-diene (PubChem CID 123512837) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-(trifluoromethoxy)nona-2,4-diene.

Molecular Properties

Compound Name3-(trifluoromethoxy)nona-2,4-diene
PubChem CID123512837
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name3-(trifluoromethoxy)nona-2,4-diene
SMILESCC=C(C=CCCCC)OC(F)(F)F
InChIInChI=1S/C10H15F3O/c1-3-5-6-7-8-9(4-2)14-10(11,12)13/h4,7-8H,3,5-6H2,1-2H3
InChIKeyFAMYOOHAIISANJ-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-(trifluoromethoxy)cyclohexa-1,3-diene
CID 17952051
2-(Difluoromethoxy)cyclohexa-1,3-diene
CID 18363256
2-(1,1,2,2-Tetrafluoroethoxy)cyclohexa-1,3-diene
CID 18427019
2-(Trifluoromethoxy)cyclohexa-1,3-diene
CID 18614397
2-(1,2,2-Trifluoroethenoxy)cyclohexa-1,3-diene
CID 18990478
1-Propan-2-yl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 19028649
1-Fluoro-2-methoxycyclohexa-1,3-diene
CID 22754812
6-Fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene
CID 58898152
5-Methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 67967853
(5S)-5-methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 68305761
3-Fluoro-7-methyl-4-(trifluoromethoxy)cyclohepta-1,3,5-triene
CID 68394242
(5R)-5-methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70216832

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)nona-2,4-diene?
The IUPAC name of 3-(trifluoromethoxy)nona-2,4-diene (CID 123512837) is 3-(trifluoromethoxy)nona-2,4-diene.
What is the SMILES notation for 3-(trifluoromethoxy)nona-2,4-diene?
The canonical SMILES for 3-(trifluoromethoxy)nona-2,4-diene is CC=C(C=CCCCC)OC(F)(F)F.
What is the InChIKey of 3-(trifluoromethoxy)nona-2,4-diene?
The InChIKey is FAMYOOHAIISANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O/c1-3-5-6-7-8-9(4-2)14-10(11,12)13/h4,7-8H,3,5-6H2,1-2H3.
What are the key properties of 3-(trifluoromethoxy)nona-2,4-diene?
3-(trifluoromethoxy)nona-2,4-diene has a molecular weight of 208.22 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)nona-2,4-diene is sourced from PubChem (CID 123512837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).