(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol

C9H8BrFO — CID 86697104

IUPAC(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2c(Br)ccc(F)c21
InChIInChI=1S/C9H8BrFO/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3,8,12H,1,4H2/t8-/m0/s1
InChIKeyNLVVNRITLSLCDP-QMMMGPOBSA-N
MW231.06 g/mol
LogP2.57
Rot. Bonds

About (1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol

(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol (PubChem CID 86697104) has the molecular formula C9H8BrFO and a molecular weight of 231.06 g/mol. Its IUPAC name is (1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol
PubChem CID86697104
Molecular FormulaC9H8BrFO
Molecular Weight231.06 g/mol
Exact Mass229.97
IUPAC Name(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2c(Br)ccc(F)c21
InChIInChI=1S/C9H8BrFO/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3,8,12H,1,4H2/t8-/m0/s1
InChIKeyNLVVNRITLSLCDP-QMMMGPOBSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

rac-(1R,2S)-2-bromo-2,3-dihydro-1H-inden-1-ol
CID 820606
(1R,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol
CID 820607
(1S,2S)-2-Bromo-2,3-dihydro-1H-inden-1-ol
CID 820608
4-Bromo-1-indanol
CID 13330208
2-Bromo-1-indanol
CID 95444
(3-Bromo-2-methylphenyl)methanol
CID 10035697
(1S)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414737
(1R)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414734
(1S)-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 47003503
(1R)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915875
1H-Inden-1-ol, 2-fluoro-2,3-dihydro-, (1R,2S)-
CID 12167272
4-Bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59493116

Frequently Asked Questions

What is the IUPAC name of (1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol (CID 86697104) is (1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol is O[C@H]1CCc2c(Br)ccc(F)c21.
What is the InChIKey of (1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is NLVVNRITLSLCDP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8BrFO/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3,8,12H,1,4H2/t8-/m0/s1.
What are the key properties of (1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol?
(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 231.06 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 86697104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).