N'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine

C10H15F2N3O — CID 107494035

IUPACN'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine
SMILESCOc1cc(N(CCN)CC(F)F)ccn1
InChIInChI=1S/C10H15F2N3O/c1-16-10-6-8(2-4-14-10)15(5-3-13)7-9(11)12/h2,4,6,9H,3,5,7,13H2,1H3
InChIKeyIDSHFGJNPFLEPH-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.12
Rot. Bonds6

About N'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine (PubChem CID 107494035) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine
PubChem CID107494035
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC NameN'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine
SMILESCOc1cc(N(CCN)CC(F)F)ccn1
InChIInChI=1S/C10H15F2N3O/c1-16-10-6-8(2-4-14-10)15(5-3-13)7-9(11)12/h2,4,6,9H,3,5,7,13H2,1H3
InChIKeyIDSHFGJNPFLEPH-UHFFFAOYSA-N
XLogP1.12
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine (CID 107494035) is N'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine is COc1cc(N(CCN)CC(F)F)ccn1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine?
The InChIKey is IDSHFGJNPFLEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-16-10-6-8(2-4-14-10)15(5-3-13)7-9(11)12/h2,4,6,9H,3,5,7,13H2,1H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine has a molecular weight of 231.25 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 107494035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).