3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine

C9H14FNS — CID 81408503

IUPAC3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
SMILESC[C@@H](NCCCF)c1cccs1
InChIInChI=1S/C9H14FNS/c1-8(11-6-3-5-10)9-4-2-7-12-9/h2,4,7-8,11H,3,5-6H2,1H3/t8-/m1/s1
InChIKeyYYONBAIAULZEGI-MRVPVSSYSA-N
MW187.28 g/mol
LogP2.76
Rot. Bonds5

About 3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine

3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine (PubChem CID 81408503) has the molecular formula C9H14FNS and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
PubChem CID81408503
Molecular FormulaC9H14FNS
Molecular Weight187.28 g/mol
Exact Mass187.08
IUPAC Name3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
SMILESC[C@@H](NCCCF)c1cccs1
InChIInChI=1S/C9H14FNS/c1-8(11-6-3-5-10)9-4-2-7-12-9/h2,4,7-8,11H,3,5-6H2,1H3/t8-/m1/s1
InChIKeyYYONBAIAULZEGI-MRVPVSSYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine
CID 115516778
4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892
5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
CID 81408361
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol
CID 103905543
methyl 4-(1-thiophen-2-ylethylamino)butanoate
CID 43534511
N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide
CID 115708210
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine
CID 81408577
(1S)-1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891288

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine (CID 81408503) is 3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine is C[C@@H](NCCCF)c1cccs1.
What is the InChIKey of 3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is YYONBAIAULZEGI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14FNS/c1-8(11-6-3-5-10)9-4-2-7-12-9/h2,4,7-8,11H,3,5-6H2,1H3/t8-/m1/s1.
What are the key properties of 3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 81408503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).