(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride

C11H11ClFNS — CID 171199158

IUPAC(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1cccc(F)c1
InChIInChI=1S/C11H10FNS.ClH/c12-10-3-1-2-8(6-10)11(13)9-4-5-14-7-9;/h1-7,11H,13H2;1H/t11-;/m0./s1
InChIKeyMPSUFBYRHKZODT-MERQFXBCSA-N
MW243.73 g/mol
LogP3.36
Rot. Bonds2

About (S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride

(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171199158) has the molecular formula C11H11ClFNS and a molecular weight of 243.73 g/mol. Its IUPAC name is (S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171199158
Molecular FormulaC11H11ClFNS
Molecular Weight243.73 g/mol
Exact Mass243.03
IUPAC Name(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1cccc(F)c1
InChIInChI=1S/C11H10FNS.ClH/c12-10-3-1-2-8(6-10)11(13)9-4-5-14-7-9;/h1-7,11H,13H2;1H/t11-;/m0./s1
InChIKeyMPSUFBYRHKZODT-MERQFXBCSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-thiophen-3-ylmethanamine
CID 60819674
3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171218066
3-[(S)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171198549
(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113
(R)-(3-bromophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218747
(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171229652
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503
(S)-(3-bromophenyl)-thiophen-3-ylmethanamine
CID 171199224
(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171201796
(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171245936
4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol
CID 171198764

Frequently Asked Questions

What is the IUPAC name of (S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171199158) is (S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@H](c1ccsc1)c1cccc(F)c1.
What is the InChIKey of (S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is MPSUFBYRHKZODT-MERQFXBCSA-N. The full InChI is InChI=1S/C11H10FNS.ClH/c12-10-3-1-2-8(6-10)11(13)9-4-5-14-7-9;/h1-7,11H,13H2;1H/t11-;/m0./s1.
What are the key properties of (S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
(S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171199158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).