1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol

C14H12BrFOS — CID 83070123

IUPAC1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(Cc2sccc2Br)CCc2c(F)cccc21
InChIInChI=1S/C14H12BrFOS/c15-11-5-7-18-13(11)8-14(17)6-4-9-10(14)2-1-3-12(9)16/h1-3,5,7,17H,4,6,8H2
InChIKeyMKLDVJKHLQDUES-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.03
Rot. Bonds2

About 1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol

1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol (PubChem CID 83070123) has the molecular formula C14H12BrFOS and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
PubChem CID83070123
Molecular FormulaC14H12BrFOS
Molecular Weight327.22 g/mol
Exact Mass325.98
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(Cc2sccc2Br)CCc2c(F)cccc21
InChIInChI=1S/C14H12BrFOS/c15-11-5-7-18-13(11)8-14(17)6-4-9-10(14)2-1-3-12(9)16/h1-3,5,7,17H,4,6,8H2
InChIKeyMKLDVJKHLQDUES-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
CID 83069495
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83057965
4-fluoro-1-(furan-3-ylmethyl)-2,3-dihydroinden-1-ol
CID 83173066
1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83070139
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile
CID 83069835
1-[(2,4-dichlorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
CID 83069879
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
CID 83058418
4-fluoro-1-[(2-methylpropylamino)methyl]-2,3-dihydroinden-1-ol
CID 83069026
4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol
CID 107046342
4-fluoro-1-(propoxymethyl)-2,3-dihydroinden-1-ol
CID 83069804
1-(3-ethylsulfonylpropyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83069176
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
CID 107432549

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol (CID 83070123) is 1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol is OC1(Cc2sccc2Br)CCc2c(F)cccc21.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is MKLDVJKHLQDUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFOS/c15-11-5-7-18-13(11)8-14(17)6-4-9-10(14)2-1-3-12(9)16/h1-3,5,7,17H,4,6,8H2.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol?
1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 327.22 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-4-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83070123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).