(R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride

C12H10ClF4NS — CID 171227008

IUPAC(R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1cc(F)cc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C12H9F4NS.ClH/c13-9-5-7(4-8(6-9)12(14,15)16)11(17)10-2-1-3-18-10;/h1-6,11H,17H2;1H/t11-;/m1./s1
InChIKeyKUZIHXIRYBZGIE-RFVHGSKJSA-N
MW311.73 g/mol
LogP4.38
Rot. Bonds2

About (R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride

(R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 171227008) has the molecular formula C12H10ClF4NS and a molecular weight of 311.73 g/mol. Its IUPAC name is (R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
PubChem CID171227008
Molecular FormulaC12H10ClF4NS
Molecular Weight311.73 g/mol
Exact Mass311.02
IUPAC Name(R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1cc(F)cc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C12H9F4NS.ClH/c13-9-5-7(4-8(6-9)12(14,15)16)11(17)10-2-1-3-18-10;/h1-6,11H,17H2;1H/t11-;/m1./s1
InChIKeyKUZIHXIRYBZGIE-RFVHGSKJSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
CID 171234951
(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223526
(R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 171231154
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242162
(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171202537
1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 18543066
(3,5-dibromophenyl)-thiophen-2-ylmethanamine
CID 107973859
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171226978
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 66517668
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 138986249
(R)-(2,4-difluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171218565

Frequently Asked Questions

What is the IUPAC name of (R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride (CID 171227008) is (R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride is Cl.N[C@H](c1cc(F)cc(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of (R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is KUZIHXIRYBZGIE-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H9F4NS.ClH/c13-9-5-7(4-8(6-9)12(14,15)16)11(17)10-2-1-3-18-10;/h1-6,11H,17H2;1H/t11-;/m1./s1.
What are the key properties of (R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride?
(R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride has a molecular weight of 311.73 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 171227008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).