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

C10H8ClFOS — CID 130951760

IUPAC[2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol
SMILESOCc1c(F)ccc2sc(CCl)cc12
InChIInChI=1S/C10H8ClFOS/c11-4-6-3-7-8(5-13)9(12)1-2-10(7)14-6/h1-3,13H,4-5H2
InChIKeyDCFIZXRCDPKLLZ-UHFFFAOYSA-N
MW230.69 g/mol
LogP3.27
Rot. Bonds2

About [2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol

[2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol (PubChem CID 130951760) has the molecular formula C10H8ClFOS and a molecular weight of 230.69 g/mol. Its IUPAC name is [2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol.

Molecular Properties

Compound Name[2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol
PubChem CID130951760
Molecular FormulaC10H8ClFOS
Molecular Weight230.69 g/mol
Exact Mass230.00
IUPAC Name[2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol
SMILESOCc1c(F)ccc2sc(CCl)cc12
InChIInChI=1S/C10H8ClFOS/c11-4-6-3-7-8(5-13)9(12)1-2-10(7)14-6/h1-3,13H,4-5H2
InChIKeyDCFIZXRCDPKLLZ-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

[2-chloro-5-(chloromethyl)-1-benzothiophen-4-yl]methanol
CID 131001332
(5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol
CID 130951766
2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol
CID 131034506
(2-fluoro-5-methylsulfanyl-1-benzothiophen-3-yl)methanol
CID 131124486
2-(chloromethyl)-4-ethyl-7-fluoro-1-benzothiophene
CID 130885296
(5-chloro-2-iodo-1-benzothiophen-4-yl)methanol
CID 131031157
(5,7-difluoro-1-benzofuran-4-yl)methanol
CID 117279692
3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene
CID 130951803
(5-chloro-1-benzothiophen-2-yl)methanol
CID 23340421
(4,5-dimethyl-1-benzothiophen-2-yl)methanol
CID 131190841
[5-(bromomethyl)-2-chloro-1-benzothiophen-4-yl]methanol
CID 130985299
(4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
CID 130855375

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol?
The IUPAC name of [2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol (CID 130951760) is [2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol.
What is the SMILES notation for [2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol?
The canonical SMILES for [2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol is OCc1c(F)ccc2sc(CCl)cc12.
What is the InChIKey of [2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol?
The InChIKey is DCFIZXRCDPKLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFOS/c11-4-6-3-7-8(5-13)9(12)1-2-10(7)14-6/h1-3,13H,4-5H2.
What are the key properties of [2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol?
[2-(chloromethyl)-5-fluoro-1-benzothiophen-4-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 [2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol is sourced from PubChem (CID 130951760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).