7-chloro-2-(trifluoromethyl)cyclopenta[b]pyran

C9H4ClF3O — CID 174688223

IUPAC7-chloro-2-(trifluoromethyl)cyclopenta[b]pyran
SMILESFC(F)(F)c1ccc2ccc(Cl)c-2o1
InChIInChI=1S/C9H4ClF3O/c10-6-3-1-5-2-4-7(9(11,12)13)14-8(5)6/h1-4H
InChIKeyQZLDTXKOQISVSY-UHFFFAOYSA-N
MW220.58 g/mol
LogP4.06
Rot. Bonds

About 7-chloro-2-(trifluoromethyl)cyclopenta[b]pyran

7-chloro-2-(trifluoromethyl)cyclopenta[b]pyran (PubChem CID 174688223) has the molecular formula C9H4ClF3O and a molecular weight of 220.58 g/mol. Its IUPAC name is 7-chloro-2-(trifluoromethyl)cyclopenta[b]pyran.

Molecular Properties

Compound Name7-chloro-2-(trifluoromethyl)cyclopenta[b]pyran
PubChem CID174688223
Molecular FormulaC9H4ClF3O
Molecular Weight220.58 g/mol
Exact Mass219.99
IUPAC Name7-chloro-2-(trifluoromethyl)cyclopenta[b]pyran
SMILESFC(F)(F)c1ccc2ccc(Cl)c-2o1
InChIInChI=1S/C9H4ClF3O/c10-6-3-1-5-2-4-7(9(11,12)13)14-8(5)6/h1-4H
InChIKeyQZLDTXKOQISVSY-UHFFFAOYSA-N
XLogP4.06
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.58
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(trifluoromethyl)cyclopenta[b]pyran?
The IUPAC name of 7-chloro-2-(trifluoromethyl)cyclopenta[b]pyran (CID 174688223) is 7-chloro-2-(trifluoromethyl)cyclopenta[b]pyran.
What is the SMILES notation for 7-chloro-2-(trifluoromethyl)cyclopenta[b]pyran?
The canonical SMILES for 7-chloro-2-(trifluoromethyl)cyclopenta[b]pyran is FC(F)(F)c1ccc2ccc(Cl)c-2o1.
What is the InChIKey of 7-chloro-2-(trifluoromethyl)cyclopenta[b]pyran?
The InChIKey is QZLDTXKOQISVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3O/c10-6-3-1-5-2-4-7(9(11,12)13)14-8(5)6/h1-4H.
What are the key properties of 7-chloro-2-(trifluoromethyl)cyclopenta[b]pyran?
7-chloro-2-(trifluoromethyl)cyclopenta[b]pyran has a molecular weight of 220.58 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(trifluoromethyl)cyclopenta[b]pyran is sourced from PubChem (CID 174688223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).