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

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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).