[4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol

C10H8ClFOS — CID 131146400

IUPAC[4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol
SMILESOCc1cc(F)c2sccc2c1CCl
InChIInChI=1S/C10H8ClFOS/c11-4-8-6(5-13)3-9(12)10-7(8)1-2-14-10/h1-3,13H,4-5H2
InChIKeyVCUGBHSDQCPHMC-UHFFFAOYSA-N
MW230.69 g/mol
LogP3.27
Rot. Bonds2

About [4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol

[4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol (PubChem CID 131146400) has the molecular formula C10H8ClFOS and a molecular weight of 230.69 g/mol. Its IUPAC name is [4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol.

Molecular Properties

Compound Name[4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol
PubChem CID131146400
Molecular FormulaC10H8ClFOS
Molecular Weight230.69 g/mol
Exact Mass230.00
IUPAC Name[4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol
SMILESOCc1cc(F)c2sccc2c1CCl
InChIInChI=1S/C10H8ClFOS/c11-4-8-6(5-13)3-9(12)10-7(8)1-2-14-10/h1-3,13H,4-5H2
InChIKeyVCUGBHSDQCPHMC-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[6-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol
CID 130955973
(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
CID 131000571
(6,7-difluoro-1-benzothiophen-4-yl)methanol
CID 130877241
[4-amino-5-(chloromethyl)-1-benzothiophen-6-yl]methanol
CID 130803320
[6-bromo-7-(chloromethyl)-1-benzothiophen-4-yl]methanol
CID 130820878
(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol
CID 130987115
7-(chloromethyl)-4,5-difluoro-1-benzothiophene
CID 130786097
[4-amino-7-(chloromethyl)-1-benzothiophen-5-yl]methanol
CID 130803466
[4-chloro-5-(chloromethyl)-1-benzothiophen-7-yl]methanol
CID 130985373
[6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol
CID 131014412
[4-bromo-6-(chloromethyl)-1-benzothiophen-7-yl]methanol
CID 130901103
(4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol
CID 130987107

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol?
The IUPAC name of [4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol (CID 131146400) is [4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol.
What is the SMILES notation for [4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol?
The canonical SMILES for [4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol is OCc1cc(F)c2sccc2c1CCl.
What is the InChIKey of [4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol?
The InChIKey is VCUGBHSDQCPHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFOS/c11-4-8-6(5-13)3-9(12)10-7(8)1-2-14-10/h1-3,13H,4-5H2.
What are the key properties of [4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol?
[4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol has a molecular weight of 230.69 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol is sourced from PubChem (CID 131146400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).