(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride

C11H10ClF2NS — CID 171229652

IUPAC(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2NS.ClH/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8;/h1-6,11H,14H2;1H/t11-;/m1./s1
InChIKeyLZAJYQGEXKICGW-RFVHGSKJSA-N
MW261.72 g/mol
LogP3.50
Rot. Bonds2

About (R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride

(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171229652) has the molecular formula C11H10ClF2NS and a molecular weight of 261.72 g/mol. Its IUPAC name is (R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171229652
Molecular FormulaC11H10ClF2NS
Molecular Weight261.72 g/mol
Exact Mass261.02
IUPAC Name(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2NS.ClH/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8;/h1-6,11H,14H2;1H/t11-;/m1./s1
InChIKeyLZAJYQGEXKICGW-RFVHGSKJSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171201796
(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
CID 171229047
4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol
CID 171198764
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499
(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199158
(3,4-difluorophenyl)-thiophen-3-ylmethanol
CID 61087371
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924
(R)-(3,4-dichlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220907
(3-fluorophenyl)-thiophen-3-ylmethanamine
CID 60819674
(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113
(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220162

Frequently Asked Questions

What is the IUPAC name of (R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171229652) is (R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@@H](c1ccsc1)c1ccc(F)c(F)c1.
What is the InChIKey of (R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is LZAJYQGEXKICGW-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H9F2NS.ClH/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8;/h1-6,11H,14H2;1H/t11-;/m1./s1.
What are the key properties of (R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 261.72 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171229652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).