6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol

C10H8ClF3O — CID 84736618

IUPAC6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
SMILESOC1(C(F)(F)F)CCc2ccc(Cl)cc21
InChIInChI=1S/C10H8ClF3O/c11-7-2-1-6-3-4-9(15,8(6)5-7)10(12,13)14/h1-2,5,15H,3-4H2
InChIKeySKGRPXWXXGCAAR-UHFFFAOYSA-N
MW236.62 g/mol
LogP3.04
Rot. Bonds

About 6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol

6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol (PubChem CID 84736618) has the molecular formula C10H8ClF3O and a molecular weight of 236.62 g/mol. Its IUPAC name is 6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
PubChem CID84736618
Molecular FormulaC10H8ClF3O
Molecular Weight236.62 g/mol
Exact Mass236.02
IUPAC Name6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
SMILESOC1(C(F)(F)F)CCc2ccc(Cl)cc21
InChIInChI=1S/C10H8ClF3O/c11-7-2-1-6-3-4-9(15,8(6)5-7)10(12,13)14/h1-2,5,15H,3-4H2
InChIKeySKGRPXWXXGCAAR-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.62
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol (CID 84736618) is 6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol is OC1(C(F)(F)F)CCc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol?
The InChIKey is SKGRPXWXXGCAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O/c11-7-2-1-6-3-4-9(15,8(6)5-7)10(12,13)14/h1-2,5,15H,3-4H2.
What are the key properties of 6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol?
6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol has a molecular weight of 236.62 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 84736618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).