(S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine

C11H9ClFNS — CID 131296076

IUPAC(S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine
SMILESN[C@H](c1cccs1)c1cccc(Cl)c1F
InChIInChI=1S/C11H9ClFNS/c12-8-4-1-3-7(10(8)13)11(14)9-5-2-6-15-9/h1-6,11H,14H2/t11-/m0/s1
InChIKeyFFBGJQLXQLHNOQ-NSHDSACASA-N
MW241.72 g/mol
LogP3.59
Rot. Bonds2

About (S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine

(S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine (PubChem CID 131296076) has the molecular formula C11H9ClFNS and a molecular weight of 241.72 g/mol. Its IUPAC name is (S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine
PubChem CID131296076
Molecular FormulaC11H9ClFNS
Molecular Weight241.72 g/mol
Exact Mass241.01
IUPAC Name(S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine
SMILESN[C@H](c1cccs1)c1cccc(Cl)c1F
InChIInChI=1S/C11H9ClFNS/c12-8-4-1-3-7(10(8)13)11(14)9-5-2-6-15-9/h1-6,11H,14H2/t11-/m0/s1
InChIKeyFFBGJQLXQLHNOQ-NSHDSACASA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(2,3-difluorophenyl)-thiophen-2-ylmethanamine
CID 94532686
(S)-(2-chloro-3-fluorophenyl)-thiophen-2-ylmethanamine
CID 171203052
(2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186711
(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171197939
(2-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186746
(3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine
CID 79988148
(S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205796
(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine
CID 131300822
(R)-(3-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223396
(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513399
1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171180423
(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 64713808

Frequently Asked Questions

What is the IUPAC name of (S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine?
The IUPAC name of (S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine (CID 131296076) is (S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine is N[C@H](c1cccs1)c1cccc(Cl)c1F.
What is the InChIKey of (S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine?
The InChIKey is FFBGJQLXQLHNOQ-NSHDSACASA-N. The full InChI is InChI=1S/C11H9ClFNS/c12-8-4-1-3-7(10(8)13)11(14)9-5-2-6-15-9/h1-6,11H,14H2/t11-/m0/s1.
What are the key properties of (S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine?
(S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine has a molecular weight of 241.72 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 131296076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).