3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine

C8H10FNS — CID 66982625

IUPAC3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine
SMILESNCC(=CF)Cc1ccsc1
InChIInChI=1S/C8H10FNS/c9-4-8(5-10)3-7-1-2-11-6-7/h1-2,4,6H,3,5,10H2
InChIKeyXUBABMHRKQDQAU-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.10
Rot. Bonds3

About 3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine

3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine (PubChem CID 66982625) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine
PubChem CID66982625
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine
SMILESNCC(=CF)Cc1ccsc1
InChIInChI=1S/C8H10FNS/c9-4-8(5-10)3-7-1-2-11-6-7/h1-2,4,6H,3,5,10H2
InChIKeyXUBABMHRKQDQAU-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Thienyl)ethanamine
CID 12258737
1-(Thiophen-3-yl)propan-2-amine
CID 13188564
2-(Thiophen-3-yl)prop-2-en-1-amine
CID 13583271
rac-(1R,2S)-2-(thiophen-3-yl)cyclopropan-1-amine
CID 28901759
Methyl[1-(thiophen-3-yl)propan-2-yl]amine
CID 61077840
2-(Thiophen-3-yl)ethan-1-amine hydrochloride
CID 12258738
2-(Thiophen-3-yl)propan-1-amine
CID 54559053
2-(Thiophen-3-yl)propan-1-amine hydrochloride
CID 67850872
2-(3-Methyl-2-thienyl)ethanamine
CID 14361750
rac-1-[(1R,2R)-2-(thiophen-3-yl)cyclopropyl]methanamine hydrochloride
CID 165999889
3-(3-Methylthiophen-2-yl)propan-1-amine
CID 17931149
1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 61474164

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine (CID 66982625) is 3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine is NCC(=CF)Cc1ccsc1.
What is the InChIKey of 3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is XUBABMHRKQDQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c9-4-8(5-10)3-7-1-2-11-6-7/h1-2,4,6H,3,5,10H2.
What are the key properties of 3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine?
3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 171.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 66982625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).