(Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine

C8H9ClFNS — CID 59029516

IUPAC(Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C\F)Cc1ccc(Cl)s1
InChIInChI=1S/C8H9ClFNS/c9-8-2-1-7(12-8)3-6(4-10)5-11/h1-2,4H,3,5,11H2/b6-4-
InChIKeyARHGAPAMOXYGHZ-XQRVVYSFSA-N
MW205.69 g/mol
LogP2.76
Rot. Bonds3

About (Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine

(Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 59029516) has the molecular formula C8H9ClFNS and a molecular weight of 205.69 g/mol. Its IUPAC name is (Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine
PubChem CID59029516
Molecular FormulaC8H9ClFNS
Molecular Weight205.69 g/mol
Exact Mass205.01
IUPAC Name(Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C\F)Cc1ccc(Cl)s1
InChIInChI=1S/C8H9ClFNS/c9-8-2-1-7(12-8)3-6(4-10)5-11/h1-2,4H,3,5,11H2/b6-4-
InChIKeyARHGAPAMOXYGHZ-XQRVVYSFSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone
CID 116600380
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967512
2-(aminomethyl)-3-(5-chlorothiophen-2-yl)propan-1-ol
CID 55220976
3-(aminomethyl)-1-(5-chlorothiophen-2-yl)-5-methylhexan-2-one
CID 116597969
3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one
CID 116611485
1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one
CID 62622059
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829545
2-[5-[[(5-chlorothiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894964
2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
CID 170891756
1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967511

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine (CID 59029516) is (Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine is NC/C(=C\F)Cc1ccc(Cl)s1.
What is the InChIKey of (Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is ARHGAPAMOXYGHZ-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H9ClFNS/c9-8-2-1-7(12-8)3-6(4-10)5-11/h1-2,4H,3,5,11H2/b6-4-.
What are the key properties of (Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine?
(Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 205.69 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(5-chlorothiophen-2-yl)methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 59029516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).