(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine

C12H10ClF2NS — CID 80644112

IUPAC(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
SMILESCc1cc(F)c(C(N)c2sccc2Cl)cc1F
InChIInChI=1S/C12H10ClF2NS/c1-6-4-10(15)7(5-9(6)14)11(16)12-8(13)2-3-17-12/h2-5,11H,16H2,1H3
InChIKeyMFLTXUGAOARUEE-UHFFFAOYSA-N
MW273.74 g/mol
LogP4.04
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine

(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine (PubChem CID 80644112) has the molecular formula C12H10ClF2NS and a molecular weight of 273.74 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
PubChem CID80644112
Molecular FormulaC12H10ClF2NS
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
SMILESCc1cc(F)c(C(N)c2sccc2Cl)cc1F
InChIInChI=1S/C12H10ClF2NS/c1-6-4-10(15)7(5-9(6)14)11(16)12-8(13)2-3-17-12/h2-5,11H,16H2,1H3
InChIKeyMFLTXUGAOARUEE-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 80529677
(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 80641878
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724955
(3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102841415
(2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 106861105
(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 80645040
(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine
CID 43464212
(5-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80529355
(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine
CID 103301726
3-chloro-2-[chloro-(2-fluoro-4-methylphenyl)methyl]thiophene
CID 80530320
3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene
CID 80530635
(3-chlorothiophen-2-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 80644294

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine (CID 80644112) is (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine is Cc1cc(F)c(C(N)c2sccc2Cl)cc1F.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine?
The InChIKey is MFLTXUGAOARUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NS/c1-6-4-10(15)7(5-9(6)14)11(16)12-8(13)2-3-17-12/h2-5,11H,16H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine?
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine has a molecular weight of 273.74 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 80644112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).