(4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine

C13H8Cl3F2N — CID 115851173

IUPAC(4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine
SMILESNC(c1cc(F)c(Cl)cc1F)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H8Cl3F2N/c14-8-3-1-2-6(12(8)16)13(19)7-4-11(18)9(15)5-10(7)17/h1-5,13H,19H2
InChIKeyDYZAOIAWFHDPPA-UHFFFAOYSA-N
MW322.57 g/mol
LogP4.97
Rot. Bonds2

About (4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine

(4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine (PubChem CID 115851173) has the molecular formula C13H8Cl3F2N and a molecular weight of 322.57 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine
PubChem CID115851173
Molecular FormulaC13H8Cl3F2N
Molecular Weight322.57 g/mol
Exact Mass320.97
IUPAC Name(4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine
SMILESNC(c1cc(F)c(Cl)cc1F)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H8Cl3F2N/c14-8-3-1-2-6(12(8)16)13(19)7-4-11(18)9(15)5-10(7)17/h1-5,13H,19H2
InChIKeyDYZAOIAWFHDPPA-UHFFFAOYSA-N
XLogP4.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.57
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine
CID 82772989
(4-chloro-2,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024829
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340
(2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115851182
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
(4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018161
(2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 43344832
(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine
CID 105398594
(2,3-dichlorophenyl)methanediamine
CID 139660481
(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2,5-difluorophenyl)methanamine
CID 82773003
(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050632
(3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 81265393

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine (CID 115851173) is (4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine is NC(c1cc(F)c(Cl)cc1F)c1cccc(Cl)c1Cl.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine?
The InChIKey is DYZAOIAWFHDPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3F2N/c14-8-3-1-2-6(12(8)16)13(19)7-4-11(18)9(15)5-10(7)17/h1-5,13H,19H2.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine?
(4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine has a molecular weight of 322.57 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(2,3-dichlorophenyl)methanamine is sourced from PubChem (CID 115851173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).