N'-(3,5-difluorophenyl)ethane-1,2-diamine

C8H10F2N2 — CID 11116511

IUPACN'-(3,5-difluorophenyl)ethane-1,2-diamine
SMILESNCCNc1cc(F)cc(F)c1
InChIInChI=1S/C8H10F2N2/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5,12H,1-2,11H2
InChIKeyCAQYIRMKAIUGBC-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.34
Rot. Bonds3

About N'-(3,5-difluorophenyl)ethane-1,2-diamine

N'-(3,5-difluorophenyl)ethane-1,2-diamine (PubChem CID 11116511) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is N'-(3,5-difluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,5-difluorophenyl)ethane-1,2-diamine
PubChem CID11116511
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC NameN'-(3,5-difluorophenyl)ethane-1,2-diamine
SMILESNCCNc1cc(F)cc(F)c1
InChIInChI=1S/C8H10F2N2/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5,12H,1-2,11H2
InChIKeyCAQYIRMKAIUGBC-UHFFFAOYSA-N
XLogP1.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 79692011
N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 82504640
N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
CID 130589041
4-(2-aminoethylamino)-2,6-dichlorophenol
CID 130589167
3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline
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CID 60922925
3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55245178
2-amino-N-(3,5-difluorophenyl)ethanesulfonamide
CID 16792909
N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525058
3,5-difluoro-N-prop-2-enylaniline
CID 62141812
3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
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CID 18072381

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-difluorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3,5-difluorophenyl)ethane-1,2-diamine (CID 11116511) is N'-(3,5-difluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,5-difluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,5-difluorophenyl)ethane-1,2-diamine is NCCNc1cc(F)cc(F)c1.
What is the InChIKey of N'-(3,5-difluorophenyl)ethane-1,2-diamine?
The InChIKey is CAQYIRMKAIUGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5,12H,1-2,11H2.
What are the key properties of N'-(3,5-difluorophenyl)ethane-1,2-diamine?
N'-(3,5-difluorophenyl)ethane-1,2-diamine has a molecular weight of 172.18 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-difluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 11116511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).