3-fluoro-2-methyl-4-thiophen-3-ylbutan-2-amine

C9H14FNS — CID 130589545

IUPAC3-fluoro-2-methyl-4-thiophen-3-ylbutan-2-amine
SMILESCC(C)(N)C(F)Cc1ccsc1
InChIInChI=1S/C9H14FNS/c1-9(2,11)8(10)5-7-3-4-12-6-7/h3-4,6,8H,5,11H2,1-2H3
InChIKeySOYZSRCMFDWJHD-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.37
Rot. Bonds3

About 3-fluoro-2-methyl-4-thiophen-3-ylbutan-2-amine

3-fluoro-2-methyl-4-thiophen-3-ylbutan-2-amine (PubChem CID 130589545) has the molecular formula C9H14FNS and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-fluoro-2-methyl-4-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name3-fluoro-2-methyl-4-thiophen-3-ylbutan-2-amine
PubChem CID130589545
Molecular FormulaC9H14FNS
Molecular Weight187.28 g/mol
Exact Mass187.08
IUPAC Name3-fluoro-2-methyl-4-thiophen-3-ylbutan-2-amine
SMILESCC(C)(N)C(F)Cc1ccsc1
InChIInChI=1S/C9H14FNS/c1-9(2,11)8(10)5-7-3-4-12-6-7/h3-4,6,8H,5,11H2,1-2H3
InChIKeySOYZSRCMFDWJHD-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130722882
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CID 51358614
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CID 62603131
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CID 62604082
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CID 64057227
CID 64057227
CID 64057228
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CID 64753637
CID 64753637

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-4-thiophen-3-ylbutan-2-amine?
The IUPAC name of 3-fluoro-2-methyl-4-thiophen-3-ylbutan-2-amine (CID 130589545) is 3-fluoro-2-methyl-4-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 3-fluoro-2-methyl-4-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 3-fluoro-2-methyl-4-thiophen-3-ylbutan-2-amine is CC(C)(N)C(F)Cc1ccsc1.
What is the InChIKey of 3-fluoro-2-methyl-4-thiophen-3-ylbutan-2-amine?
The InChIKey is SOYZSRCMFDWJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNS/c1-9(2,11)8(10)5-7-3-4-12-6-7/h3-4,6,8H,5,11H2,1-2H3.
What are the key properties of 3-fluoro-2-methyl-4-thiophen-3-ylbutan-2-amine?
3-fluoro-2-methyl-4-thiophen-3-ylbutan-2-amine has a molecular weight of 187.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-4-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 130589545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).