N'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H12F3N3O — CID 107494224

IUPACN'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1nccc2occc12
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)7-17(5-3-15)10-8-2-6-18-9(8)1-4-16-10/h1-2,4,6H,3,5,7,15H2
InChIKeyIBSMJKCULGQRLI-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.16
Rot. Bonds4

About N'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494224) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is N'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494224
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC NameN'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1nccc2occc12
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)7-17(5-3-15)10-8-2-6-18-9(8)1-4-16-10/h1-2,4,6H,3,5,7,15H2
InChIKeyIBSMJKCULGQRLI-UHFFFAOYSA-N
XLogP2.16
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-benzyl-N'-furo[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 106535010
N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494336
N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494189
2-[furo[3,2-c]pyridin-4-yl(propyl)amino]acetic acid
CID 106534820
N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494341
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)isoquinolin-1-amine
CID 107490693
2-[furo[3,2-c]pyridin-4-yl(propan-2-yl)amino]ethanol
CID 106535445
N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494340
N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine
CID 106535415
2-furo[3,2-c]pyridin-4-yloxyethanamine
CID 106535541
N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494264
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494164

Frequently Asked Questions

What is the IUPAC name of N'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494224) is N'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCCN(CC(F)(F)F)c1nccc2occc12.
What is the InChIKey of N'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is IBSMJKCULGQRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c12-11(13,14)7-17(5-3-15)10-8-2-6-18-9(8)1-4-16-10/h1-2,4,6H,3,5,7,15H2.
What are the key properties of N'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 259.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).