(2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine

C13H9ClF3N — CID 81454139

IUPAC(2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1cccc(F)c1Cl
InChIInChI=1S/C13H9ClF3N/c14-12-8(2-1-3-10(12)16)13(18)7-4-5-9(15)11(17)6-7/h1-6,13H,18H2
InChIKeyMEBILHBIZMICRX-UHFFFAOYSA-N
MW271.67 g/mol
LogP3.81
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine

(2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine (PubChem CID 81454139) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
PubChem CID81454139
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name(2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1cccc(F)c1Cl
InChIInChI=1S/C13H9ClF3N/c14-12-8(2-1-3-10(12)16)13(18)7-4-5-9(15)11(17)6-7/h1-6,13H,18H2
InChIKeyMEBILHBIZMICRX-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-3-fluorophenyl)-(4-chlorophenyl)methanamine
CID 81454943
(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
CID 115791995
(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454944
(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 81454834
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197530
(2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine
CID 105050408
(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43805150
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340
(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799417
(2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 105023063
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990549

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine?
The IUPAC name of (2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine (CID 81454139) is (2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine is NC(c1ccc(F)c(F)c1)c1cccc(F)c1Cl.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine?
The InChIKey is MEBILHBIZMICRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-12-8(2-1-3-10(12)16)13(18)7-4-5-9(15)11(17)6-7/h1-6,13H,18H2.
What are the key properties of (2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine?
(2-chloro-3-fluorophenyl)-(3,4-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-3-fluorophenyl)-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 81454139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).