3-fluoro-2-thiophen-2-ylprop-2-en-1-amine

C7H8FNS — CID 54057326

IUPAC3-fluoro-2-thiophen-2-ylprop-2-en-1-amine
SMILESNCC(=CF)c1cccs1
InChIInChI=1S/C7H8FNS/c8-4-6(5-9)7-2-1-3-10-7/h1-4H,5,9H2
InChIKeyLXDXLBLQFHBXCA-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.02
Rot. Bonds2

About 3-fluoro-2-thiophen-2-ylprop-2-en-1-amine

3-fluoro-2-thiophen-2-ylprop-2-en-1-amine (PubChem CID 54057326) has the molecular formula C7H8FNS and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-fluoro-2-thiophen-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name3-fluoro-2-thiophen-2-ylprop-2-en-1-amine
PubChem CID54057326
Molecular FormulaC7H8FNS
Molecular Weight157.21 g/mol
Exact Mass157.04
IUPAC Name3-fluoro-2-thiophen-2-ylprop-2-en-1-amine
SMILESNCC(=CF)c1cccs1
InChIInChI=1S/C7H8FNS/c8-4-6(5-9)7-2-1-3-10-7/h1-4H,5,9H2
InChIKeyLXDXLBLQFHBXCA-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-thiophen-2-ylpent-3-en-1-amine
CID 82074766
(Z)-1-amino-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
CID 82504052
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
2-[(E)-1-bromopent-2-en-2-yl]thiophene
CID 126676876
aminomethyl thiophene-2-carboxylate
CID 142796710
(Z)-2-thiophen-2-ylprop-1-en-1-amine
CID 89332768
1,3-diaminopropan-2-yl thiophene-2-carboxylate
CID 139769696
3-thiophen-2-ylpent-2-enoic acid
CID 61333342
3-thiophen-2-ylpent-2-enenitrile
CID 76913769
(Z,3S)-3-amino-2-thiophen-2-ylprop-1-ene-1,3-diol
CID 124638952
2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene
CID 59972359

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-thiophen-2-ylprop-2-en-1-amine?
The IUPAC name of 3-fluoro-2-thiophen-2-ylprop-2-en-1-amine (CID 54057326) is 3-fluoro-2-thiophen-2-ylprop-2-en-1-amine.
What is the SMILES notation for 3-fluoro-2-thiophen-2-ylprop-2-en-1-amine?
The canonical SMILES for 3-fluoro-2-thiophen-2-ylprop-2-en-1-amine is NCC(=CF)c1cccs1.
What is the InChIKey of 3-fluoro-2-thiophen-2-ylprop-2-en-1-amine?
The InChIKey is LXDXLBLQFHBXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNS/c8-4-6(5-9)7-2-1-3-10-7/h1-4H,5,9H2.
What are the key properties of 3-fluoro-2-thiophen-2-ylprop-2-en-1-amine?
3-fluoro-2-thiophen-2-ylprop-2-en-1-amine has a molecular weight of 157.21 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-thiophen-2-ylprop-2-en-1-amine is sourced from PubChem (CID 54057326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).