1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine

C8H11ClFNS — CID 80696138

IUPAC1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
SMILESCC(NCCF)c1ccc(Cl)s1
InChIInChI=1S/C8H11ClFNS/c1-6(11-5-4-10)7-2-3-8(9)12-7/h2-3,6,11H,4-5H2,1H3
InChIKeyKNVOYUVCBCEWLS-UHFFFAOYSA-N
MW207.70 g/mol
LogP3.02
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine

1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine (PubChem CID 80696138) has the molecular formula C8H11ClFNS and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
PubChem CID80696138
Molecular FormulaC8H11ClFNS
Molecular Weight207.70 g/mol
Exact Mass207.03
IUPAC Name1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
SMILESCC(NCCF)c1ccc(Cl)s1
InChIInChI=1S/C8H11ClFNS/c1-6(11-5-4-10)7-2-3-8(9)12-7/h2-3,6,11H,4-5H2,1H3
InChIKeyKNVOYUVCBCEWLS-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 61469472
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43432672
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide
CID 43551657
3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide
CID 97353451
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-yn-1-amine
CID 62309744
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43427117
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutan-1-amine
CID 114333254
5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid
CID 103243977

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine (CID 80696138) is 1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine is CC(NCCF)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine?
The InChIKey is KNVOYUVCBCEWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFNS/c1-6(11-5-4-10)7-2-3-8(9)12-7/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine?
1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine has a molecular weight of 207.70 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine is sourced from PubChem (CID 80696138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).