CID 58450216

C7H9F3O2 — CID 58450216

IUPAC—
SMILES[CH]OC(C1CCOC1)C(F)(F)F
InChIInChI=1S/C7H9F3O2/c1-11-6(7(8,9)10)5-2-3-12-4-5/h1,5-6H,2-4H2
InChIKeyVZBLGJJZLUCKNW-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.64
Rot. Bonds2

About CID 58450216

CID 58450216 (PubChem CID 58450216) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol.

Molecular Properties

Compound NameCID 58450216
PubChem CID58450216
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name—
SMILES[CH]OC(C1CCOC1)C(F)(F)F
InChIInChI=1S/C7H9F3O2/c1-11-6(7(8,9)10)5-2-3-12-4-5/h1,5-6H,2-4H2
InChIKeyVZBLGJJZLUCKNW-UHFFFAOYSA-N
XLogP1.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-1-(oxolan-3-yl)ethan-1-ol
CID 61645213
2,2-Difluoro-1-(oxolan-3-yl)ethan-1-ol
CID 80604390
2,3-Bis(fluoromethyl)oxolane
CID 21301298
4,4-Difluoro-2,3-dimethyloxolane
CID 67977154
3-(2,2,2-Trifluoro-1-methoxyethyl)oxolane
CID 68230069
2,3-Difluoro-4,5-bis(trifluoromethyl)oxolane
CID 88467258
[2-(Trifluoromethyl)oxolan-3-yl]methanol
CID 102568029
3-Methyl-2-(trifluoromethyl)oxolane
CID 156750364
4-(Methoxymethyl)-2-(trifluoromethyl)oxolane
CID 166528721
2,2-Difluoro-4,5-dimethyloxolane
CID 169641046
(3S)-4,4-difluoro-2,3-dimethyloxolane
CID 169975733
2-Methyl-3-(trifluoromethyl)oxolane
CID 170752700

Frequently Asked Questions

What is the IUPAC name of CID 58450216?
The IUPAC name of CID 58450216 (CID 58450216) is not available.
What is the SMILES notation for CID 58450216?
The canonical SMILES for CID 58450216 is [CH]OC(C1CCOC1)C(F)(F)F.
What is the InChIKey of CID 58450216?
The InChIKey is VZBLGJJZLUCKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c1-11-6(7(8,9)10)5-2-3-12-4-5/h1,5-6H,2-4H2.
What are the key properties of CID 58450216?
CID 58450216 has a molecular weight of 182.14 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450216 is sourced from PubChem (CID 58450216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).