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

C13H7ClF5N — CID 107475989

IUPAC(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1cc(F)c(F)cc1Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H7ClF5N/c14-7-4-10(17)9(16)3-6(7)13(20)5-1-2-8(15)12(19)11(5)18/h1-4,13H,20H2
InChIKeyMBUWCFYIASNIBY-UHFFFAOYSA-N
MW307.65 g/mol
LogP4.08
Rot. Bonds2

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

(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 107475989) has the molecular formula C13H7ClF5N and a molecular weight of 307.65 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID107475989
Molecular FormulaC13H7ClF5N
Molecular Weight307.65 g/mol
Exact Mass307.02
IUPAC Name(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1cc(F)c(F)cc1Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H7ClF5N/c14-7-4-10(17)9(16)3-6(7)13(20)5-1-2-8(15)12(19)11(5)18/h1-4,13H,20H2
InChIKeyMBUWCFYIASNIBY-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.65
LogP ≤ 54.08
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

1-[bromo-(2-chloro-4,5-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 107477574
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 107476982
(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 79749284
(2-chloro-4,5-difluorophenyl)-(3,4,5-trifluorophenyl)methanamine
CID 107476059
(2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine
CID 107476078
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine
CID 81044973
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine
CID 107476124
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 79750062

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine (CID 107475989) is (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine is NC(c1cc(F)c(F)cc1Cl)c1ccc(F)c(F)c1F.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is MBUWCFYIASNIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF5N/c14-7-4-10(17)9(16)3-6(7)13(20)5-1-2-8(15)12(19)11(5)18/h1-4,13H,20H2.
What are the key properties of (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine?
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 307.65 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 107475989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).