6-bromo-4-fluoro-1-methyl-2,3-dihydroinden-1-ol

C10H10BrFO — CID 139482314

IUPAC6-bromo-4-fluoro-1-methyl-2,3-dihydroinden-1-ol
SMILESCC1(O)CCc2c(F)cc(Br)cc21
InChIInChI=1S/C10H10BrFO/c1-10(13)3-2-7-8(10)4-6(11)5-9(7)12/h4-5,13H,2-3H2,1H3
InChIKeyOIGSLIMSMDFCCX-UHFFFAOYSA-N
MW245.09 g/mol
LogP2.74
Rot. Bonds

About 6-bromo-4-fluoro-1-methyl-2,3-dihydroinden-1-ol

6-bromo-4-fluoro-1-methyl-2,3-dihydroinden-1-ol (PubChem CID 139482314) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 6-bromo-4-fluoro-1-methyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-bromo-4-fluoro-1-methyl-2,3-dihydroinden-1-ol
PubChem CID139482314
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name6-bromo-4-fluoro-1-methyl-2,3-dihydroinden-1-ol
SMILESCC1(O)CCc2c(F)cc(Br)cc21
InChIInChI=1S/C10H10BrFO/c1-10(13)3-2-7-8(10)4-6(11)5-9(7)12/h4-5,13H,2-3H2,1H3
InChIKeyOIGSLIMSMDFCCX-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-1-indanol
CID 13330208
(1S)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414737
(1R)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414734
(1R)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915875
2-Bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59492587
4-Bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59493116
5-bromo-2,3-dihydro-1H-inden-1-ol
CID 13486299
1-(3-Bromophenyl)cyclopentan-1-ol
CID 18461714
(1S)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915874
7-Bromo-2,3-dihydro-1H-inden-1-ol
CID 58306680
4-Bromo-2-fluoro-alpha,alpha-dimethylbenzenemethanol
CID 58762195
2-(3-Bromo-5-fluorophenyl)propan-2-ol
CID 84696334

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-1-methyl-2,3-dihydroinden-1-ol?
The IUPAC name of 6-bromo-4-fluoro-1-methyl-2,3-dihydroinden-1-ol (CID 139482314) is 6-bromo-4-fluoro-1-methyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-bromo-4-fluoro-1-methyl-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-bromo-4-fluoro-1-methyl-2,3-dihydroinden-1-ol is CC1(O)CCc2c(F)cc(Br)cc21.
What is the InChIKey of 6-bromo-4-fluoro-1-methyl-2,3-dihydroinden-1-ol?
The InChIKey is OIGSLIMSMDFCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-10(13)3-2-7-8(10)4-6(11)5-9(7)12/h4-5,13H,2-3H2,1H3.
What are the key properties of 6-bromo-4-fluoro-1-methyl-2,3-dihydroinden-1-ol?
6-bromo-4-fluoro-1-methyl-2,3-dihydroinden-1-ol has a molecular weight of 245.09 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-1-methyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 139482314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).