(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine

C11H6Cl2F3NS — CID 79749284

IUPAC(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H6Cl2F3NS/c12-7-3-5(11(13)18-7)10(17)4-1-2-6(14)9(16)8(4)15/h1-3,10H,17H2
InChIKeyIPHTYYBGJSLHNQ-UHFFFAOYSA-N
MW312.14 g/mol
LogP4.52
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine

(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 79749284) has the molecular formula C11H6Cl2F3NS and a molecular weight of 312.14 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID79749284
Molecular FormulaC11H6Cl2F3NS
Molecular Weight312.14 g/mol
Exact Mass310.96
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H6Cl2F3NS/c12-7-3-5(11(13)18-7)10(17)4-1-2-6(14)9(16)8(4)15/h1-3,10H,17H2
InChIKeyIPHTYYBGJSLHNQ-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 114022238
(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 102828028
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 107475989
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337
(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115855292
2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene
CID 63436785
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283519
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 107960514
(2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107960548
(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855341
(2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 43344832

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine (CID 79749284) is (2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine is NC(c1cc(Cl)sc1Cl)c1ccc(F)c(F)c1F.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is IPHTYYBGJSLHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3NS/c12-7-3-5(11(13)18-7)10(17)4-1-2-6(14)9(16)8(4)15/h1-3,10H,17H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine?
(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 312.14 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 79749284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).