(6-fluoro-1-benzothiophen-3-yl)methanol

C9H7FOS — CID 71649882

IUPAC(6-fluoro-1-benzothiophen-3-yl)methanol
SMILESOCc1csc2cc(F)ccc12
InChIInChI=1S/C9H7FOS/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,11H,4H2
InChIKeyODBCDUVAQPVIBN-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.53
Rot. Bonds1

About (6-fluoro-1-benzothiophen-3-yl)methanol

(6-fluoro-1-benzothiophen-3-yl)methanol (PubChem CID 71649882) has the molecular formula C9H7FOS and a molecular weight of 182.22 g/mol. Its IUPAC name is (6-fluoro-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(6-fluoro-1-benzothiophen-3-yl)methanol
PubChem CID71649882
Molecular FormulaC9H7FOS
Molecular Weight182.22 g/mol
Exact Mass182.02
IUPAC Name(6-fluoro-1-benzothiophen-3-yl)methanol
SMILESOCc1csc2cc(F)ccc12
InChIInChI=1S/C9H7FOS/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,11H,4H2
InChIKeyODBCDUVAQPVIBN-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine
CID 117196258
N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117178167
3-bromo-6-fluoro-1-benzothiophene
CID 58817610
1-(1-benzothiophen-3-yl)-3-(2,4-difluorophenyl)propan-2-one
CID 64559645
(5-chloro-1-benzothiophen-3-yl)methanol
CID 2776136
1-(1-benzothiophen-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-one
CID 63738285
2-(1-benzothiophen-3-yl)-1-(2-chloro-4-fluorophenyl)ethanone
CID 63738108
3-[2-[(7-fluoro-4-oxothiochromen-3-yl)methyl]phenyl]propanoic acid
CID 139755225
(6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol
CID 131197619
3-(4-fluorophenyl)-1-benzothiophen-6-ol
CID 22314196
4-(6-fluoro-1-benzothiophen-3-yl)piperidine
CID 10105486
[6-amino-5-(chloromethyl)-1-benzothiophen-3-yl]methanol
CID 130877236

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1-benzothiophen-3-yl)methanol?
The IUPAC name of (6-fluoro-1-benzothiophen-3-yl)methanol (CID 71649882) is (6-fluoro-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (6-fluoro-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (6-fluoro-1-benzothiophen-3-yl)methanol is OCc1csc2cc(F)ccc12.
What is the InChIKey of (6-fluoro-1-benzothiophen-3-yl)methanol?
The InChIKey is ODBCDUVAQPVIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,11H,4H2.
What are the key properties of (6-fluoro-1-benzothiophen-3-yl)methanol?
(6-fluoro-1-benzothiophen-3-yl)methanol has a molecular weight of 182.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 71649882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).