(2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine

C13H6Cl2F5N — CID 115851182

IUPAC(2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESNC(c1cccc(Cl)c1Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H6Cl2F5N/c14-5-3-1-2-4(7(5)15)13(21)6-8(16)10(18)12(20)11(19)9(6)17/h1-3,13H,21H2
InChIKeyAIQWTCPWQHKZGR-UHFFFAOYSA-N
MW342.09 g/mol
LogP4.74
Rot. Bonds2

About (2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine

(2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine (PubChem CID 115851182) has the molecular formula C13H6Cl2F5N and a molecular weight of 342.09 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
PubChem CID115851182
Molecular FormulaC13H6Cl2F5N
Molecular Weight342.09 g/mol
Exact Mass340.98
IUPAC Name(2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESNC(c1cccc(Cl)c1Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H6Cl2F5N/c14-5-3-1-2-4(7(5)15)13(21)6-8(16)10(18)12(20)11(19)9(6)17/h1-3,13H,21H2
InChIKeyAIQWTCPWQHKZGR-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.09
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
(4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 115851173
(2,3-dichlorophenyl)methanediamine
CID 139660481
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
2-(2,3-dichlorophenyl)-2-fluoroethanamine;hydrochloride
CID 170918813
(2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 43344832
(2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine
CID 115851470
(1S)-1-(2,3-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311628
(2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033531
(2-chloro-6-fluorophenyl)-(2-methylphenyl)methanamine
CID 82087273
(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693902

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine?
The IUPAC name of (2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine (CID 115851182) is (2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine?
The canonical SMILES for (2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine is NC(c1cccc(Cl)c1Cl)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine?
The InChIKey is AIQWTCPWQHKZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F5N/c14-5-3-1-2-4(7(5)15)13(21)6-8(16)10(18)12(20)11(19)9(6)17/h1-3,13H,21H2.
What are the key properties of (2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine?
(2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine has a molecular weight of 342.09 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine is sourced from PubChem (CID 115851182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).