2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine

C9H13ClFNS — CID 112566022

IUPAC2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine
SMILESCCC(F)(CN)Cc1ccc(Cl)s1
InChIInChI=1S/C9H13ClFNS/c1-2-9(11,6-12)5-7-3-4-8(10)13-7/h3-4H,2,5-6,12H2,1H3
InChIKeyQZQUOJBASHABSO-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.02
Rot. Bonds4

About 2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine

2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine (PubChem CID 112566022) has the molecular formula C9H13ClFNS and a molecular weight of 221.73 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine
PubChem CID112566022
Molecular FormulaC9H13ClFNS
Molecular Weight221.73 g/mol
Exact Mass221.04
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine
SMILESCCC(F)(CN)Cc1ccc(Cl)s1
InChIInChI=1S/C9H13ClFNS/c1-2-9(11,6-12)5-7-3-4-8(10)13-7/h3-4H,2,5-6,12H2,1H3
InChIKeyQZQUOJBASHABSO-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol
CID 106508322
1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine
CID 62619974
2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106506959
2-chloro-5-(2-ethyl-2-methylheptyl)thiophene
CID 130455839
1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol
CID 65149389
3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol
CID 66025156
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 61438246
3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839634
N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine
CID 28565422
1-(5-chlorothiophen-2-yl)-2-methylheptan-2-ol
CID 80557726
2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine
CID 55095727
3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 115841552

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine (CID 112566022) is 2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine is CCC(F)(CN)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine?
The InChIKey is QZQUOJBASHABSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClFNS/c1-2-9(11,6-12)5-7-3-4-8(10)13-7/h3-4H,2,5-6,12H2,1H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine?
2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine has a molecular weight of 221.73 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 2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine is sourced from PubChem (CID 112566022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).