4-N-(2,2-difluoroethyl)quinoline-3,4-diamine

C11H11F2N3 — CID 103963516

IUPAC4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCC(F)F
InChIInChI=1S/C11H11F2N3/c12-10(13)6-16-11-7-3-1-2-4-9(7)15-5-8(11)14/h1-5,10H,6,14H2,(H,15,16)
InChIKeyGQDZEKVAIHSLSR-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.49
Rot. Bonds3

About 4-N-(2,2-difluoroethyl)quinoline-3,4-diamine

4-N-(2,2-difluoroethyl)quinoline-3,4-diamine (PubChem CID 103963516) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-N-(2,2-difluoroethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
PubChem CID103963516
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCC(F)F
InChIInChI=1S/C11H11F2N3/c12-10(13)6-16-11-7-3-1-2-4-9(7)15-5-8(11)14/h1-5,10H,6,14H2,(H,15,16)
InChIKeyGQDZEKVAIHSLSR-UHFFFAOYSA-N
XLogP2.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine
CID 86052490
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine
CID 114185848
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
4-(difluoromethyl)quinolin-3-amine
CID 178080175
4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398
2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 103962888
2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide
CID 103963513

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-difluoroethyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(2,2-difluoroethyl)quinoline-3,4-diamine (CID 103963516) is 4-N-(2,2-difluoroethyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(2,2-difluoroethyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(2,2-difluoroethyl)quinoline-3,4-diamine is Nc1cnc2ccccc2c1NCC(F)F.
What is the InChIKey of 4-N-(2,2-difluoroethyl)quinoline-3,4-diamine?
The InChIKey is GQDZEKVAIHSLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c12-10(13)6-16-11-7-3-1-2-4-9(7)15-5-8(11)14/h1-5,10H,6,14H2,(H,15,16).
What are the key properties of 4-N-(2,2-difluoroethyl)quinoline-3,4-diamine?
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine has a molecular weight of 223.23 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-difluoroethyl)quinoline-3,4-diamine is sourced from PubChem (CID 103963516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).