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

C9H14FNS — CID 130574546

IUPAC3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine
SMILESCC(N)C(C)(F)Cc1cccs1
InChIInChI=1S/C9H14FNS/c1-7(11)9(2,10)6-8-4-3-5-12-8/h3-5,7H,6,11H2,1-2H3
InChIKeyRCUUVFYJHUHCRE-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.37
Rot. Bonds3

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

3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 130574546) has the molecular formula C9H14FNS and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine
PubChem CID130574546
Molecular FormulaC9H14FNS
Molecular Weight187.28 g/mol
Exact Mass187.08
IUPAC Name3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine
SMILESCC(N)C(C)(F)Cc1cccs1
InChIInChI=1S/C9H14FNS/c1-7(11)9(2,10)6-8-4-3-5-12-8/h3-5,7H,6,11H2,1-2H3
InChIKeyRCUUVFYJHUHCRE-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

2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
2-(2,2-difluoro-2-iodoethyl)thiophene
CID 175168405
2-amino-2-methyl-3-thiophen-2-ylpropanenitrile
CID 82074760
2-(2-fluorophenyl)-1-thiophen-2-ylpropan-2-amine
CID 62621819
N,4,4-trimethyl-5-thiophen-2-ylpentan-2-amine
CID 64718072
2-[2,2-bis(chloromethyl)-3-methylbutyl]thiophene
CID 79447784
2,2-dimethyl-3-thiophen-2-ylpropanethioamide
CID 174989051
1-(thiophen-2-ylmethylsulfanyl)propan-2-amine
CID 66217000
2,2-difluoro-1-thiophen-2-ylpropan-1-amine
CID 131209587
1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574491
5,5-dimethyl-1-thiophen-2-ylhexan-2-amine
CID 62604909
3-amino-3-methyl-4-thiophen-2-ylbutanoic acid
CID 83531714

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine (CID 130574546) is 3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine is CC(N)C(C)(F)Cc1cccs1.
What is the InChIKey of 3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is RCUUVFYJHUHCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNS/c1-7(11)9(2,10)6-8-4-3-5-12-8/h3-5,7H,6,11H2,1-2H3.
What are the key properties of 3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine?
3-fluoro-3-methyl-4-thiophen-2-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-3-methyl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 130574546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).