[3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine

C8H7Cl2F2NO — CID 121228247

IUPAC[3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine
SMILESNCc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C8H7Cl2F2NO/c9-5-1-4(3-13)2-6(10)7(5)14-8(11)12/h1-2,8H,3,13H2
InChIKeyJJKXJBHBSCZJTR-UHFFFAOYSA-N
MW242.05 g/mol
LogP3.05
Rot. Bonds3

About [3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine

[3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine (PubChem CID 121228247) has the molecular formula C8H7Cl2F2NO and a molecular weight of 242.05 g/mol. Its IUPAC name is [3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine
PubChem CID121228247
Molecular FormulaC8H7Cl2F2NO
Molecular Weight242.05 g/mol
Exact Mass240.99
IUPAC Name[3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine
SMILESNCc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C8H7Cl2F2NO/c9-5-1-4(3-13)2-6(10)7(5)14-8(11)12/h1-2,8H,3,13H2
InChIKeyJJKXJBHBSCZJTR-UHFFFAOYSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-5-(difluoromethoxy)phenyl]methanamine
CID 130564088
2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine
CID 60906197
1,3-dichloro-2-(difluoromethoxy)-5-(fluoromethoxy)benzene
CID 166641394
[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine
CID 43622273
[4-(aminomethyl)-2,6-dichlorophenyl] acetate
CID 174895620
1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene
CID 118824687
3,5-dichloro-4-(difluoromethoxy)-N-(pyrimidin-5-ylmethyl)aniline
CID 62761014
3,5-dichloro-4-(difluoromethoxy)-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66397700
1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide
CID 83086658
3,5-dichloro-4-(difluoromethoxy)-N-(3-methylpentan-2-yl)aniline
CID 63449963
3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide
CID 54867408
1,4-dichloro-2-(difluoromethoxy)-3-iodobenzene
CID 118807817

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of [3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine (CID 121228247) is [3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for [3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for [3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine is NCc1cc(Cl)c(OC(F)F)c(Cl)c1.
What is the InChIKey of [3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine?
The InChIKey is JJKXJBHBSCZJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F2NO/c9-5-1-4(3-13)2-6(10)7(5)14-8(11)12/h1-2,8H,3,13H2.
What are the key properties of [3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine?
[3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine has a molecular weight of 242.05 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 121228247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).