CID 58450364

C9H6ClF3O — CID 58450364

IUPAC—
SMILES[CH]OC(c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H6ClF3O/c1-14-8(9(11,12)13)6-3-2-4-7(10)5-6/h1-5,8H
InChIKeyJGBFMOXPLRVAHX-UHFFFAOYSA-N
MW222.59 g/mol
LogP3.63
Rot. Bonds2

About CID 58450364

CID 58450364 (PubChem CID 58450364) has the molecular formula C9H6ClF3O and a molecular weight of 222.59 g/mol.

Molecular Properties

Compound NameCID 58450364
PubChem CID58450364
Molecular FormulaC9H6ClF3O
Molecular Weight222.59 g/mol
Exact Mass222.01
IUPAC Name—
SMILES[CH]OC(c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H6ClF3O/c1-14-8(9(11,12)13)6-3-2-4-7(10)5-6/h1-5,8H
InChIKeyJGBFMOXPLRVAHX-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.59
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(3-chlorophenyl)-2,2,3-trifluoropropanoic acid
CID 54478502
(2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile
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Frequently Asked Questions

What is the IUPAC name of CID 58450364?
The IUPAC name of CID 58450364 (CID 58450364) is not available.
What is the SMILES notation for CID 58450364?
The canonical SMILES for CID 58450364 is [CH]OC(c1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of CID 58450364?
The InChIKey is JGBFMOXPLRVAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3O/c1-14-8(9(11,12)13)6-3-2-4-7(10)5-6/h1-5,8H.
What are the key properties of CID 58450364?
CID 58450364 has a molecular weight of 222.59 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450364 is sourced from PubChem (CID 58450364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).