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

C8H10FNS — CID 59029514

IUPAC(Z)-3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine
SMILESNC/C(=C\F)Cc1ccsc1
InChIInChI=1S/C8H10FNS/c9-4-8(5-10)3-7-1-2-11-6-7/h1-2,4,6H,3,5,10H2/b8-4-
InChIKeyXUBABMHRKQDQAU-YWEYNIOJSA-N
MW171.24 g/mol
LogP2.10
Rot. Bonds3

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

(Z)-3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine (PubChem CID 59029514) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is (Z)-3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine
PubChem CID59029514
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name(Z)-3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine
SMILESNC/C(=C\F)Cc1ccsc1
InChIInChI=1S/C8H10FNS/c9-4-8(5-10)3-7-1-2-11-6-7/h1-2,4,6H,3,5,10H2/b8-4-
InChIKeyXUBABMHRKQDQAU-YWEYNIOJSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine (CID 59029514) is (Z)-3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine is NC/C(=C\F)Cc1ccsc1.
What is the InChIKey of (Z)-3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is XUBABMHRKQDQAU-YWEYNIOJSA-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/b8-4-.
What are the key properties of (Z)-3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine?
(Z)-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 (Z)-3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 59029514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).