1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene

C10H11F3O — CID 143615725

IUPAC1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene
SMILESCCCOC1=C(F)CC(F)=CC=C1F
InChIInChI=1S/C10H11F3O/c1-2-5-14-10-8(12)4-3-7(11)6-9(10)13/h3-4H,2,5-6H2,1H3
InChIKeyNQZFZRCVECYXDO-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.70
Rot. Bonds3

About 1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene

1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene (PubChem CID 143615725) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene
PubChem CID143615725
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene
SMILESCCCOC1=C(F)CC(F)=CC=C1F
InChIInChI=1S/C10H11F3O/c1-2-5-14-10-8(12)4-3-7(11)6-9(10)13/h3-4H,2,5-6H2,1H3
InChIKeyNQZFZRCVECYXDO-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene?
The IUPAC name of 1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene (CID 143615725) is 1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene.
What is the SMILES notation for 1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene?
The canonical SMILES for 1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene is CCCOC1=C(F)CC(F)=CC=C1F.
What is the InChIKey of 1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene?
The InChIKey is NQZFZRCVECYXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-2-5-14-10-8(12)4-3-7(11)6-9(10)13/h3-4H,2,5-6H2,1H3.
What are the key properties of 1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene?
1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene has a molecular weight of 204.19 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trifluoro-2-propoxycyclohepta-1,3,5-triene is sourced from PubChem (CID 143615725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).