4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol

C11H12F2O — CID 123729415

IUPAC4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol
SMILESCC(F)(F)c1cccc2c1CCC2O
InChIInChI=1S/C11H12F2O/c1-11(12,13)9-4-2-3-8-7(9)5-6-10(8)14/h2-4,10,14H,5-6H2,1H3
InChIKeyVLSWTQZXJJRRMM-UHFFFAOYSA-N
MW198.21 g/mol
LogP2.78
Rot. Bonds1

About 4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol

4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 123729415) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID123729415
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol
SMILESCC(F)(F)c1cccc2c1CCC2O
InChIInChI=1S/C11H12F2O/c1-11(12,13)9-4-2-3-8-7(9)5-6-10(8)14/h2-4,10,14H,5-6H2,1H3
InChIKeyVLSWTQZXJJRRMM-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol (CID 123729415) is 4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol is CC(F)(F)c1cccc2c1CCC2O.
What is the InChIKey of 4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is VLSWTQZXJJRRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-11(12,13)9-4-2-3-8-7(9)5-6-10(8)14/h2-4,10,14H,5-6H2,1H3.
What are the key properties of 4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol?
4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 198.21 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 123729415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).