6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine

C11H14FNS — CID 170045621

IUPAC6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine
SMILESCC(C)(C)N1C=C(F)c2ccsc2C1
InChIInChI=1S/C11H14FNS/c1-11(2,3)13-6-9(12)8-4-5-14-10(8)7-13/h4-6H,7H2,1-3H3
InChIKeyNXYGUSRZEBYXEJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.63
Rot. Bonds

About 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine

6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine (PubChem CID 170045621) has the molecular formula C11H14FNS and a molecular weight of 211.31 g/mol. Its IUPAC name is 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine
PubChem CID170045621
Molecular FormulaC11H14FNS
Molecular Weight211.31 g/mol
Exact Mass211.08
IUPAC Name6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine
SMILESCC(C)(C)N1C=C(F)c2ccsc2C1
InChIInChI=1S/C11H14FNS/c1-11(2,3)13-6-9(12)8-4-5-14-10(8)7-13/h4-6H,7H2,1-3H3
InChIKeyNXYGUSRZEBYXEJ-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 94897962
N-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 75832967
N-[(4-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 133877722
1-Methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine
CID 763355
5-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 45117639
1-(Thiophen-2-ylmethyl)-4-(trifluoromethyl)piperidine
CID 126855036
N,1-Dimethyl-N-[(3-methyl-2-thienyl)methyl]-4-piperidinamine
CID 763113
N-benzyl-N-methyl-1-thiophen-2-ylethanamine
CID 12273086
2-(Dimethylamino)methyl-3-methylthiophene
CID 10080668
5-Ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 11435160
Thienoquinolizine
CID 67258030
6-Methylthieno[2,3-c]pyridine-7-thione
CID 121405862

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine?
The IUPAC name of 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine (CID 170045621) is 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine.
What is the SMILES notation for 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine?
The canonical SMILES for 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine is CC(C)(C)N1C=C(F)c2ccsc2C1.
What is the InChIKey of 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine?
The InChIKey is NXYGUSRZEBYXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNS/c1-11(2,3)13-6-9(12)8-4-5-14-10(8)7-13/h4-6H,7H2,1-3H3.
What are the key properties of 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine?
6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine has a molecular weight of 211.31 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-fluoro-7H-thieno[2,3-c]pyridine is sourced from PubChem (CID 170045621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).