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

C12H14FNS — CID 121403786

IUPAC6-tert-butyl-4-fluoro-7-methylidenethieno[2,3-c]pyridine
SMILESC=C1c2sccc2C(F)=CN1C(C)(C)C
InChIInChI=1S/C12H14FNS/c1-8-11-9(5-6-15-11)10(13)7-14(8)12(2,3)4/h5-7H,1H2,2-4H3
InChIKeyXBHGPDWQVCURCP-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.10
Rot. Bonds

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

6-tert-butyl-4-fluoro-7-methylidenethieno[2,3-c]pyridine (PubChem CID 121403786) has the molecular formula C12H14FNS and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-tert-butyl-4-fluoro-7-methylidenethieno[2,3-c]pyridine.

Molecular Properties

Compound Name6-tert-butyl-4-fluoro-7-methylidenethieno[2,3-c]pyridine
PubChem CID121403786
Molecular FormulaC12H14FNS
Molecular Weight223.32 g/mol
Exact Mass223.08
IUPAC Name6-tert-butyl-4-fluoro-7-methylidenethieno[2,3-c]pyridine
SMILESC=C1c2sccc2C(F)=CN1C(C)(C)C
InChIInChI=1S/C12H14FNS/c1-8-11-9(5-6-15-11)10(13)7-14(8)12(2,3)4/h5-7H,1H2,2-4H3
InChIKeyXBHGPDWQVCURCP-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 94897962
5-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 45117639
N,1-Dimethyl-N-[(3-methyl-2-thienyl)methyl]-4-piperidinamine
CID 763113
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
5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 70254878
4-Fluoro-6-methylthieno[2,3-c]pyridine-7-thione
CID 121405858
1,3-dimethyl-6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyridine
CID 123915508
6-Tert-butyl-4-fluorothieno[2,3-c]pyridine-7-thione
CID 126503372
(E)-1-N-ethenyl-2-N-[1-(4-ethylthiophen-2-yl)ethenyl]-1-N-[[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]prop-1-ene-1,2-diamine
CID 134525337

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-fluoro-7-methylidenethieno[2,3-c]pyridine?
The IUPAC name of 6-tert-butyl-4-fluoro-7-methylidenethieno[2,3-c]pyridine (CID 121403786) is 6-tert-butyl-4-fluoro-7-methylidenethieno[2,3-c]pyridine.
What is the SMILES notation for 6-tert-butyl-4-fluoro-7-methylidenethieno[2,3-c]pyridine?
The canonical SMILES for 6-tert-butyl-4-fluoro-7-methylidenethieno[2,3-c]pyridine is C=C1c2sccc2C(F)=CN1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-4-fluoro-7-methylidenethieno[2,3-c]pyridine?
The InChIKey is XBHGPDWQVCURCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNS/c1-8-11-9(5-6-15-11)10(13)7-14(8)12(2,3)4/h5-7H,1H2,2-4H3.
What are the key properties of 6-tert-butyl-4-fluoro-7-methylidenethieno[2,3-c]pyridine?
6-tert-butyl-4-fluoro-7-methylidenethieno[2,3-c]pyridine has a molecular weight of 223.32 g/mol, XLogP of 4.10, 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-7-methylidenethieno[2,3-c]pyridine is sourced from PubChem (CID 121403786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).