2-(trifluoromethyl)-4,5-dihydrooxepine

C7H7F3O — CID 10464652

IUPAC2-(trifluoromethyl)-4,5-dihydrooxepine
SMILESFC(F)(F)C1=CCCC=CO1
InChIInChI=1S/C7H7F3O/c8-7(9,10)6-4-2-1-3-5-11-6/h3-5H,1-2H2
InChIKeyWMGBGKXGZFMRPK-UHFFFAOYSA-N
MW164.13 g/mol
LogP2.76
Rot. Bonds

About 2-(trifluoromethyl)-4,5-dihydrooxepine

2-(trifluoromethyl)-4,5-dihydrooxepine (PubChem CID 10464652) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4,5-dihydrooxepine.

Molecular Properties

Compound Name2-(trifluoromethyl)-4,5-dihydrooxepine
PubChem CID10464652
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name2-(trifluoromethyl)-4,5-dihydrooxepine
SMILESFC(F)(F)C1=CCCC=CO1
InChIInChI=1S/C7H7F3O/c8-7(9,10)6-4-2-1-3-5-11-6/h3-5H,1-2H2
InChIKeyWMGBGKXGZFMRPK-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4,5-dihydrooxepine?
The IUPAC name of 2-(trifluoromethyl)-4,5-dihydrooxepine (CID 10464652) is 2-(trifluoromethyl)-4,5-dihydrooxepine.
What is the SMILES notation for 2-(trifluoromethyl)-4,5-dihydrooxepine?
The canonical SMILES for 2-(trifluoromethyl)-4,5-dihydrooxepine is FC(F)(F)C1=CCCC=CO1.
What is the InChIKey of 2-(trifluoromethyl)-4,5-dihydrooxepine?
The InChIKey is WMGBGKXGZFMRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O/c8-7(9,10)6-4-2-1-3-5-11-6/h3-5H,1-2H2.
What are the key properties of 2-(trifluoromethyl)-4,5-dihydrooxepine?
2-(trifluoromethyl)-4,5-dihydrooxepine has a molecular weight of 164.13 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4,5-dihydrooxepine is sourced from PubChem (CID 10464652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).