3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene

C8H10F4O — CID 123753573

IUPAC3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene
SMILESC=CC(F)=CC(CC(F)(F)F)OC
InChIInChI=1S/C8H10F4O/c1-3-6(9)4-7(13-2)5-8(10,11)12/h3-4,7H,1,5H2,2H3
InChIKeyNMJUMQWVBMFXPC-UHFFFAOYSA-N
MW198.16 g/mol
LogP2.99
Rot. Bonds4

About 3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene

3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene (PubChem CID 123753573) has the molecular formula C8H10F4O and a molecular weight of 198.16 g/mol. Its IUPAC name is 3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene.

Molecular Properties

Compound Name3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene
PubChem CID123753573
Molecular FormulaC8H10F4O
Molecular Weight198.16 g/mol
Exact Mass198.07
IUPAC Name3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene
SMILESC=CC(F)=CC(CC(F)(F)F)OC
InChIInChI=1S/C8H10F4O/c1-3-6(9)4-7(13-2)5-8(10,11)12/h3-4,7H,1,5H2,2H3
InChIKeyNMJUMQWVBMFXPC-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene 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

(5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 155788491
5-(Trifluoromethoxy)cyclohexa-1,3-diene
CID 18457037
1-Fluoro-5-methoxycyclohexa-1,3-diene
CID 22482457
5-Methyl-2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
CID 68215925
5-Ethoxy-2-fluorocyclohexa-1,3-diene
CID 68252011
5-Ethoxy-1,5-difluorocyclohexa-1,3-diene
CID 68810600
5-Ethoxy-5,6-difluorocyclohexa-1,3-diene
CID 70399735
2-Propan-2-yl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70831056
6-Fluoro-2-methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88986443
2-Methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88986472
(3E)-2-ethoxy-4-(trifluoromethyl)hepta-1,3,6-triene
CID 89119646
5-Methyl-6-(trifluoromethoxy)cyclohexa-1,3-diene
CID 89210920

Frequently Asked Questions

What is the IUPAC name of 3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene?
The IUPAC name of 3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene (CID 123753573) is 3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene.
What is the SMILES notation for 3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene?
The canonical SMILES for 3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene is C=CC(F)=CC(CC(F)(F)F)OC.
What is the InChIKey of 3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene?
The InChIKey is NMJUMQWVBMFXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4O/c1-3-6(9)4-7(13-2)5-8(10,11)12/h3-4,7H,1,5H2,2H3.
What are the key properties of 3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene?
3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene has a molecular weight of 198.16 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7,7-tetrafluoro-5-methoxyhepta-1,3-diene is sourced from PubChem (CID 123753573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).