4-(trifluoromethyl)thiophen-2-amine;hydrochloride

C5H5ClF3NS — CID 22293888

IUPAC4-(trifluoromethyl)thiophen-2-amine;hydrochloride
SMILESCl.Nc1cc(C(F)(F)F)cs1
InChIInChI=1S/C5H4F3NS.ClH/c6-5(7,8)3-1-4(9)10-2-3;/h1-2H,9H2;1H
InChIKeyVDWBANLJTBKEOM-UHFFFAOYSA-N
MW203.62 g/mol
LogP2.77
Rot. Bonds

About 4-(trifluoromethyl)thiophen-2-amine;hydrochloride

4-(trifluoromethyl)thiophen-2-amine;hydrochloride (PubChem CID 22293888) has the molecular formula C5H5ClF3NS and a molecular weight of 203.62 g/mol. Its IUPAC name is 4-(trifluoromethyl)thiophen-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(trifluoromethyl)thiophen-2-amine;hydrochloride
PubChem CID22293888
Molecular FormulaC5H5ClF3NS
Molecular Weight203.62 g/mol
Exact Mass202.98
IUPAC Name4-(trifluoromethyl)thiophen-2-amine;hydrochloride
SMILESCl.Nc1cc(C(F)(F)F)cs1
InChIInChI=1S/C5H4F3NS.ClH/c6-5(7,8)3-1-4(9)10-2-3;/h1-2H,9H2;1H
InChIKeyVDWBANLJTBKEOM-UHFFFAOYSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)thiophen-2-amine;hydrochloride?
The IUPAC name of 4-(trifluoromethyl)thiophen-2-amine;hydrochloride (CID 22293888) is 4-(trifluoromethyl)thiophen-2-amine;hydrochloride.
What is the SMILES notation for 4-(trifluoromethyl)thiophen-2-amine;hydrochloride?
The canonical SMILES for 4-(trifluoromethyl)thiophen-2-amine;hydrochloride is Cl.Nc1cc(C(F)(F)F)cs1.
What is the InChIKey of 4-(trifluoromethyl)thiophen-2-amine;hydrochloride?
The InChIKey is VDWBANLJTBKEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NS.ClH/c6-5(7,8)3-1-4(9)10-2-3;/h1-2H,9H2;1H.
What are the key properties of 4-(trifluoromethyl)thiophen-2-amine;hydrochloride?
4-(trifluoromethyl)thiophen-2-amine;hydrochloride has a molecular weight of 203.62 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)thiophen-2-amine;hydrochloride is sourced from PubChem (CID 22293888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).