N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine

C11H15F3N2 — CID 115406339

IUPACN-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(F)ccc1C(CN)NCC(F)F
InChIInChI=1S/C11H15F3N2/c1-7-4-8(12)2-3-9(7)10(5-15)16-6-11(13)14/h2-4,10-11,16H,5-6,15H2,1H3
InChIKeyMBXZOVJTTVHLAO-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.99
Rot. Bonds5

About N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine

N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine (PubChem CID 115406339) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
PubChem CID115406339
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC NameN-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(F)ccc1C(CN)NCC(F)F
InChIInChI=1S/C11H15F3N2/c1-7-4-8(12)2-3-9(7)10(5-15)16-6-11(13)14/h2-4,10-11,16H,5-6,15H2,1H3
InChIKeyMBXZOVJTTVHLAO-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65385277
N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65383338
N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65384194
N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 113478717
1-(5-fluoro-2-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 114075612
1-(2,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65385194
1-(2,4-difluorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912601
1-(2-chlorophenyl)-N-(2,2-difluoroethyl)ethane-1,2-diamine
CID 115406269
1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 62064444
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 103149759
N-(2,2-difluoroethyl)-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 113303693
N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
CID 82923467

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine (CID 115406339) is N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine is Cc1cc(F)ccc1C(CN)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The InChIKey is MBXZOVJTTVHLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-7-4-8(12)2-3-9(7)10(5-15)16-6-11(13)14/h2-4,10-11,16H,5-6,15H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine has a molecular weight of 232.25 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 115406339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).