(2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine

C11H9ClFNS — CID 43186711

IUPAC(2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine
SMILESNC(c1cccs1)c1c(F)cccc1Cl
InChIInChI=1S/C11H9ClFNS/c12-7-3-1-4-8(13)10(7)11(14)9-5-2-6-15-9/h1-6,11H,14H2
InChIKeySKXCHKDARFDVLU-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.59
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine

(2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine (PubChem CID 43186711) has the molecular formula C11H9ClFNS and a molecular weight of 241.72 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine
PubChem CID43186711
Molecular FormulaC11H9ClFNS
Molecular Weight241.72 g/mol
Exact Mass241.01
IUPAC Name(2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine
SMILESNC(c1cccs1)c1c(F)cccc1Cl
InChIInChI=1S/C11H9ClFNS/c12-7-3-1-4-8(13)10(7)11(14)9-5-2-6-15-9/h1-6,11H,14H2
InChIKeySKXCHKDARFDVLU-UHFFFAOYSA-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

(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171197939
(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223227
(S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine
CID 131296076
(S)-(2-chloro-3-fluorophenyl)-thiophen-2-ylmethanamine
CID 171203052
(R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine
CID 171229302
(R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride
CID 171232400
(R)-(2,3-difluorophenyl)-thiophen-2-ylmethanamine
CID 94532686
(2-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186746
(R)-(4-bromo-2,6-difluorophenyl)-thiophen-2-ylmethanamine
CID 131608140
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
(2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine
CID 114275177
(S)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
CID 171209277

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine?
The IUPAC name of (2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine (CID 43186711) is (2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine is NC(c1cccs1)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine?
The InChIKey is SKXCHKDARFDVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNS/c12-7-3-1-4-8(13)10(7)11(14)9-5-2-6-15-9/h1-6,11H,14H2.
What are the key properties of (2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine?
(2-chloro-6-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 (2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 43186711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).