(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride

C12H10ClF4NOS — CID 171216256

IUPAC(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C12H9F4NOS.ClH/c13-10-2-1-8(18-12(14,15)16)5-9(10)11(17)7-3-4-19-6-7;/h1-6,11H,17H2;1H/t11-;/m1./s1
InChIKeyQLDOQDQHOUJPHY-RFVHGSKJSA-N
MW327.73 g/mol
LogP4.26
Rot. Bonds3

About (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride

(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171216256) has the molecular formula C12H10ClF4NOS and a molecular weight of 327.73 g/mol. Its IUPAC name is (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171216256
Molecular FormulaC12H10ClF4NOS
Molecular Weight327.73 g/mol
Exact Mass327.01
IUPAC Name(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C12H9F4NOS.ClH/c13-10-2-1-8(18-12(14,15)16)5-9(10)11(17)7-3-4-19-6-7;/h1-6,11H,17H2;1H/t11-;/m1./s1
InChIKeyQLDOQDQHOUJPHY-RFVHGSKJSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171216255
(R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171236225
(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220162
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171178155
(1S)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171251769
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 171251766
(1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171312744
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251779
(2-fluorophenyl)-thiophen-3-ylmethanamine
CID 62502632
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 63672562
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 171216217

Frequently Asked Questions

What is the IUPAC name of (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride (CID 171216256) is (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@H](c1ccsc1)c1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is QLDOQDQHOUJPHY-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H9F4NOS.ClH/c13-10-2-1-8(18-12(14,15)16)5-9(10)11(17)7-3-4-19-6-7;/h1-6,11H,17H2;1H/t11-;/m1./s1.
What are the key properties of (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride?
(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 327.73 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171216256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).