(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine

C6H7ClFNS — CID 130714620

IUPAC(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine
SMILESN[C@H](CF)c1sccc1Cl
InChIInChI=1S/C6H7ClFNS/c7-4-1-2-10-6(4)5(9)3-8/h1-2,5H,3,9H2/t5-/m1/s1
InChIKeyCKYXIRXIJKBHKL-RXMQYKEDSA-N
MW179.65 g/mol
LogP2.37
Rot. Bonds2

About (1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine

(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine (PubChem CID 130714620) has the molecular formula C6H7ClFNS and a molecular weight of 179.65 g/mol. Its IUPAC name is (1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine
PubChem CID130714620
Molecular FormulaC6H7ClFNS
Molecular Weight179.65 g/mol
Exact Mass179.00
IUPAC Name(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine
SMILESN[C@H](CF)c1sccc1Cl
InChIInChI=1S/C6H7ClFNS/c7-4-1-2-10-6(4)5(9)3-8/h1-2,5H,3,9H2/t5-/m1/s1
InChIKeyCKYXIRXIJKBHKL-RXMQYKEDSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine
CID 80530078
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
(1S)-1-(3-chlorothiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171222754
1-(3-chlorothiophen-2-yl)hex-4-yn-1-amine
CID 105037487
2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 105055486
1-(3-chlorothiophen-2-yl)-3-methylsulfanylpropan-1-amine
CID 107361723
1-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanamine
CID 107359831
1-(3-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 107361905
1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
CID 115864309
1-(3-chlorothiophen-2-yl)heptan-1-amine
CID 114752614
1-(3-chlorothiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019424
(1R)-1-(3-chlorothiophen-2-yl)prop-2-en-1-amine;hydrochloride
CID 171203185

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine?
The IUPAC name of (1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine (CID 130714620) is (1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine.
What is the SMILES notation for (1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine?
The canonical SMILES for (1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine is N[C@H](CF)c1sccc1Cl.
What is the InChIKey of (1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine?
The InChIKey is CKYXIRXIJKBHKL-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H7ClFNS/c7-4-1-2-10-6(4)5(9)3-8/h1-2,5H,3,9H2/t5-/m1/s1.
What are the key properties of (1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine?
(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine has a molecular weight of 179.65 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine is sourced from PubChem (CID 130714620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).