(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine

C13H9ClF3N — CID 105394907

IUPAC(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1F)c1cc(F)ccc1Cl
InChIInChI=1S/C13H9ClF3N/c14-11-4-2-7(15)5-10(11)13(18)9-3-1-8(16)6-12(9)17/h1-6,13H,18H2
InChIKeyWHKDOTADHSYTRP-UHFFFAOYSA-N
MW271.67 g/mol
LogP3.81
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine

(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine (PubChem CID 105394907) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
PubChem CID105394907
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1F)c1cc(F)ccc1Cl
InChIInChI=1S/C13H9ClF3N/c14-11-4-2-7(15)5-10(11)13(18)9-3-1-8(16)6-12(9)17/h1-6,13H,18H2
InChIKeyWHKDOTADHSYTRP-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105397363
(4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105398640
(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine
CID 105394650
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197872
(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 105396862
[(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105397805
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
(2,4-difluorophenyl)methanediamine
CID 116939170

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine (CID 105394907) is (2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine is NC(c1ccc(F)cc1F)c1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine?
The InChIKey is WHKDOTADHSYTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-11-4-2-7(15)5-10(11)13(18)9-3-1-8(16)6-12(9)17/h1-6,13H,18H2.
What are the key properties of (2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine?
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine has a molecular weight of 271.67 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine is sourced from PubChem (CID 105394907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).