1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol

C16H13F3O — CID 83069495

IUPAC1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(Cc2ccc(F)c(F)c2)CCc2c(F)cccc21
InChIInChI=1S/C16H13F3O/c17-13-3-1-2-12-11(13)6-7-16(12,20)9-10-4-5-14(18)15(19)8-10/h1-5,8,20H,6-7,9H2
InChIKeyHQZNNCIQMTUJQM-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.48
Rot. Bonds2

About 1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol

1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol (PubChem CID 83069495) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
PubChem CID83069495
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(Cc2ccc(F)c(F)c2)CCc2c(F)cccc21
InChIInChI=1S/C16H13F3O/c17-13-3-1-2-12-11(13)6-7-16(12,20)9-10-4-5-14(18)15(19)8-10/h1-5,8,20H,6-7,9H2
InChIKeyHQZNNCIQMTUJQM-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83057965
4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol
CID 83173066
1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
CID 83069879
1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
CID 83070123
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile
CID 83069835
1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83070046
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetaldehyde
CID 114795365
4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol
CID 107046342
1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83070139
4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol
CID 83069804
4-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol
CID 83069026
1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83069176

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol (CID 83069495) is 1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol is OC1(Cc2ccc(F)c(F)c2)CCc2c(F)cccc21.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is HQZNNCIQMTUJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O/c17-13-3-1-2-12-11(13)6-7-16(12,20)9-10-4-5-14(18)15(19)8-10/h1-5,8,20H,6-7,9H2.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol?
1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 278.27 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83069495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).