4,7-difluoro-2,3-dihydro-1H-inden-1-ol

C9H8F2O — CID 598153

IUPAC4,7-difluoro-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(F)ccc(F)c21
InChIInChI=1S/C9H8F2O/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3,8,12H,1,4H2
InChIKeyRZXSYFQBZXUXMP-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.94
Rot. Bonds

About 4,7-difluoro-2,3-dihydro-1H-inden-1-ol

4,7-difluoro-2,3-dihydro-1H-inden-1-ol (PubChem CID 598153) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 4,7-difluoro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4,7-difluoro-2,3-dihydro-1H-inden-1-ol
PubChem CID598153
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name4,7-difluoro-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(F)ccc(F)c21
InChIInChI=1S/C9H8F2O/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3,8,12H,1,4H2
InChIKeyRZXSYFQBZXUXMP-UHFFFAOYSA-N
XLogP1.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Fluoren-9-ol
CID 74318
1-Indanol
CID 22819
(1S)-2,3-dihydro-1H-inden-1-ol
CID 6971242
2-Indanol
CID 77936
2-Fluoro-1-phenylethan-1-ol
CID 9946
1-(4-Fluorophenyl)ethanol
CID 73946
(1R)-2,3-dihydro-1H-inden-1-ol
CID 6971243
3-Fluoro-alpha-methylbenzenemethanol
CID 95348
2,6-Difluoro-alpha-methylbenzyl alcohol
CID 5012075
(1S)-1-(2-methylphenyl)ethan-1-ol
CID 7568538
Indenol
CID 316919
2-(Trifluoromethyl)benzylic alcohol
CID 67666

Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4,7-difluoro-2,3-dihydro-1H-inden-1-ol (CID 598153) is 4,7-difluoro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4,7-difluoro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4,7-difluoro-2,3-dihydro-1H-inden-1-ol is OC1CCc2c(F)ccc(F)c21.
What is the InChIKey of 4,7-difluoro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is RZXSYFQBZXUXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3,8,12H,1,4H2.
What are the key properties of 4,7-difluoro-2,3-dihydro-1H-inden-1-ol?
4,7-difluoro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 170.16 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 598153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).