1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol

C10H9F3O — CID 116531692

IUPAC1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(C(F)F)CCc2cc(F)ccc21
InChIInChI=1S/C10H9F3O/c11-7-1-2-8-6(5-7)3-4-10(8,14)9(12)13/h1-2,5,9,14H,3-4H2
InChIKeyVBUFDJRTEOVQIN-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.22
Rot. Bonds1

About 1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol

1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol (PubChem CID 116531692) has the molecular formula C10H9F3O and a molecular weight of 202.18 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol
PubChem CID116531692
Molecular FormulaC10H9F3O
Molecular Weight202.18 g/mol
Exact Mass202.06
IUPAC Name1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(C(F)F)CCc2cc(F)ccc21
InChIInChI=1S/C10H9F3O/c11-7-1-2-8-6(5-7)3-4-10(8,14)9(12)13/h1-2,5,9,14H,3-4H2
InChIKeyVBUFDJRTEOVQIN-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-5-fluoro-2,3-dihydroinden-1-ol
CID 59340428
5-fluoro-1-prop-2-enyl-2,3-dihydroinden-1-ol
CID 116531622
6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
CID 116532256
5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol
CID 116531788
5-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol
CID 116532263
1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
CID 116532491
1-bromo-6-fluoro-2,3-dihydroinden-1-ol
CID 174726827
5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol
CID 105373031
5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
CID 116531754
5-fluoro-1-(methylamino)-2,3-dihydroindene-1-carboxylic acid
CID 116531255
1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 116532488
5-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)furan-2-carboxylic acid
CID 106946439

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol (CID 116531692) is 1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol is OC1(C(F)F)CCc2cc(F)ccc21.
What is the InChIKey of 1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is VBUFDJRTEOVQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c11-7-1-2-8-6(5-7)3-4-10(8,14)9(12)13/h1-2,5,9,14H,3-4H2.
What are the key properties of 1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol?
1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 202.18 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 116531692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).