3-(5-chlorothiophen-3-yl)-2-fluoro-2-methylpropan-1-amine

C8H11ClFNS — CID 130679766

IUPAC3-(5-chlorothiophen-3-yl)-2-fluoro-2-methylpropan-1-amine
SMILESCC(F)(CN)Cc1csc(Cl)c1
InChIInChI=1S/C8H11ClFNS/c1-8(10,5-11)3-6-2-7(9)12-4-6/h2,4H,3,5,11H2,1H3
InChIKeyMLCXCIBLZGCQTG-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.63
Rot. Bonds3

About 3-(5-chlorothiophen-3-yl)-2-fluoro-2-methylpropan-1-amine

3-(5-chlorothiophen-3-yl)-2-fluoro-2-methylpropan-1-amine (PubChem CID 130679766) has the molecular formula C8H11ClFNS and a molecular weight of 207.70 g/mol. Its IUPAC name is 3-(5-chlorothiophen-3-yl)-2-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-3-yl)-2-fluoro-2-methylpropan-1-amine
PubChem CID130679766
Molecular FormulaC8H11ClFNS
Molecular Weight207.70 g/mol
Exact Mass207.03
IUPAC Name3-(5-chlorothiophen-3-yl)-2-fluoro-2-methylpropan-1-amine
SMILESCC(F)(CN)Cc1csc(Cl)c1
InChIInChI=1S/C8H11ClFNS/c1-8(10,5-11)3-6-2-7(9)12-4-6/h2,4H,3,5,11H2,1H3
InChIKeyMLCXCIBLZGCQTG-UHFFFAOYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-Dichlorothiophen-3-yl)butan-1-amine
CID 65305901
2-(2,5-Dichlorothiophen-3-yl)-2,2-difluoroethan-1-amine
CID 105558953
3-(2,5-Dichlorothiophen-3-yl)propan-1-amine hydrochloride
CID 165941160
(E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine
CID 25014176
(E)-3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine
CID 25014181
(Z)-3-fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine
CID 59029514
(Z)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine
CID 59029547
2-[(5-Chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine
CID 66982442
3-Fluoro-2-(thiophen-3-ylmethyl)prop-2-en-1-amine
CID 66982625
3-Fluoro-4-thiophen-3-ylbutan-1-amine
CID 104277083
2-(5-Chlorothiophen-3-yl)-2,2-difluoroethan-1-amine
CID 105558954
2-(3-Chlorothiophen-2-yl)-2-fluoropropan-1-amine
CID 107361345

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-3-yl)-2-fluoro-2-methylpropan-1-amine?
The IUPAC name of 3-(5-chlorothiophen-3-yl)-2-fluoro-2-methylpropan-1-amine (CID 130679766) is 3-(5-chlorothiophen-3-yl)-2-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5-chlorothiophen-3-yl)-2-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 3-(5-chlorothiophen-3-yl)-2-fluoro-2-methylpropan-1-amine is CC(F)(CN)Cc1csc(Cl)c1.
What is the InChIKey of 3-(5-chlorothiophen-3-yl)-2-fluoro-2-methylpropan-1-amine?
The InChIKey is MLCXCIBLZGCQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFNS/c1-8(10,5-11)3-6-2-7(9)12-4-6/h2,4H,3,5,11H2,1H3.
What are the key properties of 3-(5-chlorothiophen-3-yl)-2-fluoro-2-methylpropan-1-amine?
3-(5-chlorothiophen-3-yl)-2-fluoro-2-methylpropan-1-amine has a molecular weight of 207.70 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-3-yl)-2-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 130679766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).