4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol

C11H13FO — CID 79726794

IUPAC4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol
SMILESCC1c2c(F)cccc2C(O)C1C
InChIInChI=1S/C11H13FO/c1-6-7(2)11(13)8-4-3-5-9(12)10(6)8/h3-7,11,13H,1-2H3
InChIKeyBCMHBGVERIFOEC-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.61
Rot. Bonds

About 4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol

4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 79726794) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol
PubChem CID79726794
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol
SMILESCC1c2c(F)cccc2C(O)C1C
InChIInChI=1S/C11H13FO/c1-6-7(2)11(13)8-4-3-5-9(12)10(6)8/h3-7,11,13H,1-2H3
InChIKeyBCMHBGVERIFOEC-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-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

Fluoren-9-ol
CID 74318
1-Indanol
CID 22819
(1S)-2,3-dihydro-1H-inden-1-ol
CID 6971242
(+-)-Acenaphthenol
CID 22750
2-Indanol
CID 77936
9-Hydroxy-9-methylfluorene
CID 95933
1-(4-Fluorophenyl)ethanol
CID 73946
(1R)-2,3-dihydro-1H-inden-1-ol
CID 6971243
3-Fluoro-alpha-methylbenzenemethanol
CID 95348
(1S)-1-(2-methylphenyl)ethan-1-ol
CID 7568538
Indenol
CID 316919
1-(4-Fluorophenyl)propan-1-ol
CID 102470

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol (CID 79726794) is 4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol is CC1c2c(F)cccc2C(O)C1C.
What is the InChIKey of 4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is BCMHBGVERIFOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-6-7(2)11(13)8-4-3-5-9(12)10(6)8/h3-7,11,13H,1-2H3.
What are the key properties of 4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol?
4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 180.22 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 79726794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).