4-bromo-5-(1,1-difluoropropyl)-2,3-dihydro-1H-inden-1-ol

C12H13BrF2O — CID 123534595

IUPAC4-bromo-5-(1,1-difluoropropyl)-2,3-dihydro-1H-inden-1-ol
SMILESCCC(F)(F)c1ccc2c(c1Br)CCC2O
InChIInChI=1S/C12H13BrF2O/c1-2-12(14,15)9-5-3-7-8(11(9)13)4-6-10(7)16/h3,5,10,16H,2,4,6H2,1H3
InChIKeyQMIGUWVQPVZYNH-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.93
Rot. Bonds2

About 4-bromo-5-(1,1-difluoropropyl)-2,3-dihydro-1H-inden-1-ol

4-bromo-5-(1,1-difluoropropyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 123534595) has the molecular formula C12H13BrF2O and a molecular weight of 291.14 g/mol. Its IUPAC name is 4-bromo-5-(1,1-difluoropropyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-bromo-5-(1,1-difluoropropyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID123534595
Molecular FormulaC12H13BrF2O
Molecular Weight291.14 g/mol
Exact Mass290.01
IUPAC Name4-bromo-5-(1,1-difluoropropyl)-2,3-dihydro-1H-inden-1-ol
SMILESCCC(F)(F)c1ccc2c(c1Br)CCC2O
InChIInChI=1S/C12H13BrF2O/c1-2-12(14,15)9-5-3-7-8(11(9)13)4-6-10(7)16/h3,5,10,16H,2,4,6H2,1H3
InChIKeyQMIGUWVQPVZYNH-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-5-(1,1-difluoropropyl)-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

4-Bromo-1-indanol
CID 13330208
1-(3-Bromo-4-methylphenyl)ethan-1-ol
CID 21940332
(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
4-Bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59493116
(3-Bromo-2,5-dimethylphenyl)methanol
CID 10656303
5-bromo-2,3-dihydro-1H-inden-1-ol
CID 13486299
(1S)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915874
7-Bromo-2,3-dihydro-1H-inden-1-ol
CID 58306680
(1S)-4-(Trifluoromethyl)indan-1-ol
CID 67058205
(1R)-4-(Trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 71299622

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(1,1-difluoropropyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-bromo-5-(1,1-difluoropropyl)-2,3-dihydro-1H-inden-1-ol (CID 123534595) is 4-bromo-5-(1,1-difluoropropyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-bromo-5-(1,1-difluoropropyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-bromo-5-(1,1-difluoropropyl)-2,3-dihydro-1H-inden-1-ol is CCC(F)(F)c1ccc2c(c1Br)CCC2O.
What is the InChIKey of 4-bromo-5-(1,1-difluoropropyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is QMIGUWVQPVZYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2O/c1-2-12(14,15)9-5-3-7-8(11(9)13)4-6-10(7)16/h3,5,10,16H,2,4,6H2,1H3.
What are the key properties of 4-bromo-5-(1,1-difluoropropyl)-2,3-dihydro-1H-inden-1-ol?
4-bromo-5-(1,1-difluoropropyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 291.14 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(1,1-difluoropropyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 123534595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).