N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine

C10H16FNS — CID 80695322

IUPACN-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
SMILESCCCC(NCCF)c1cccs1
InChIInChI=1S/C10H16FNS/c1-2-4-9(12-7-6-11)10-5-3-8-13-10/h3,5,8-9,12H,2,4,6-7H2,1H3
InChIKeyQSKXPBKNSSMKDB-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.15
Rot. Bonds6

About N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine

N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine (PubChem CID 80695322) has the molecular formula C10H16FNS and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
PubChem CID80695322
Molecular FormulaC10H16FNS
Molecular Weight201.31 g/mol
Exact Mass201.10
IUPAC NameN-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
SMILESCCCC(NCCF)c1cccs1
InChIInChI=1S/C10H16FNS/c1-2-4-9(12-7-6-11)10-5-3-8-13-10/h3,5,8-9,12H,2,4,6-7H2,1H3
InChIKeyQSKXPBKNSSMKDB-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine
CID 104578061
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
methyl 4-(1-thiophen-2-ylbutylamino)butanoate
CID 54962891
N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958
1-thiophen-2-yl-N-[(2,4,5-trifluorophenyl)methyl]butan-1-amine
CID 103792753
2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
CID 81418518
1-thiophen-2-ylbutylcyanamide
CID 62481656
N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide
CID 77031722
1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 63454808
N-[(3-chloro-2-fluorophenyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 114487528

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine (CID 80695322) is N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine is CCCC(NCCF)c1cccs1.
What is the InChIKey of N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine?
The InChIKey is QSKXPBKNSSMKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNS/c1-2-4-9(12-7-6-11)10-5-3-8-13-10/h3,5,8-9,12H,2,4,6-7H2,1H3.
What are the key properties of N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine?
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 80695322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).