4-(3-chlorothiophen-2-yl)-4-fluoro-2-methylbutan-2-amine

C9H13ClFNS — CID 130538802

IUPAC4-(3-chlorothiophen-2-yl)-4-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)CC(F)c1sccc1Cl
InChIInChI=1S/C9H13ClFNS/c1-9(2,12)5-7(11)8-6(10)3-4-13-8/h3-4,7H,5,12H2,1-2H3
InChIKeyRCRRNGMSGYSUEJ-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.54
Rot. Bonds3

About 4-(3-chlorothiophen-2-yl)-4-fluoro-2-methylbutan-2-amine

4-(3-chlorothiophen-2-yl)-4-fluoro-2-methylbutan-2-amine (PubChem CID 130538802) has the molecular formula C9H13ClFNS and a molecular weight of 221.73 g/mol. Its IUPAC name is 4-(3-chlorothiophen-2-yl)-4-fluoro-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(3-chlorothiophen-2-yl)-4-fluoro-2-methylbutan-2-amine
PubChem CID130538802
Molecular FormulaC9H13ClFNS
Molecular Weight221.73 g/mol
Exact Mass221.04
IUPAC Name4-(3-chlorothiophen-2-yl)-4-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)CC(F)c1sccc1Cl
InChIInChI=1S/C9H13ClFNS/c1-9(2,12)5-7(11)8-6(10)3-4-13-8/h3-4,7H,5,12H2,1-2H3
InChIKeyRCRRNGMSGYSUEJ-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-Fluorothiophen-2-yl)-2-methylpentan-2-amine
CID 59162590
1-[(5-Chlorothiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754248
1-[(5-Chlorothiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759017
1-(3-Chlorothiophen-2-yl)-1-(4-fluorophenyl)ethanamine
CID 107359250
1-(3-Chlorothiophen-2-yl)-1-(3-fluorophenyl)ethanamine
CID 107359252
1-(3-Chlorothiophen-2-yl)-1-(2-fluorophenyl)ethanamine
CID 107359253
1-(3-Chlorothiophen-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 107359294
1-(3-Chlorothiophen-2-yl)-1-(3,5-difluorophenyl)ethanamine
CID 107359306
1-(3-Chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-1-amine
CID 107359311
2-(3-Chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-amine
CID 107359314
2-(3-Chlorothiophen-2-yl)-1-(4-fluorophenyl)propan-2-amine
CID 107359315
1-(3-Chlorothiophen-2-yl)-1-(3-fluorophenyl)propan-1-amine
CID 107359316

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorothiophen-2-yl)-4-fluoro-2-methylbutan-2-amine?
The IUPAC name of 4-(3-chlorothiophen-2-yl)-4-fluoro-2-methylbutan-2-amine (CID 130538802) is 4-(3-chlorothiophen-2-yl)-4-fluoro-2-methylbutan-2-amine.
What is the SMILES notation for 4-(3-chlorothiophen-2-yl)-4-fluoro-2-methylbutan-2-amine?
The canonical SMILES for 4-(3-chlorothiophen-2-yl)-4-fluoro-2-methylbutan-2-amine is CC(C)(N)CC(F)c1sccc1Cl.
What is the InChIKey of 4-(3-chlorothiophen-2-yl)-4-fluoro-2-methylbutan-2-amine?
The InChIKey is RCRRNGMSGYSUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClFNS/c1-9(2,12)5-7(11)8-6(10)3-4-13-8/h3-4,7H,5,12H2,1-2H3.
What are the key properties of 4-(3-chlorothiophen-2-yl)-4-fluoro-2-methylbutan-2-amine?
4-(3-chlorothiophen-2-yl)-4-fluoro-2-methylbutan-2-amine has a molecular weight of 221.73 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorothiophen-2-yl)-4-fluoro-2-methylbutan-2-amine is sourced from PubChem (CID 130538802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).