2,2-difluoro-1-quinolin-6-ylethanamine

C11H10F2N2 — CID 80604993

IUPAC2,2-difluoro-1-quinolin-6-ylethanamine
SMILESNC(c1ccc2ncccc2c1)C(F)F
InChIInChI=1S/C11H10F2N2/c12-11(13)10(14)8-3-4-9-7(6-8)2-1-5-15-9/h1-6,10-11H,14H2
InChIKeyYRTJPSUJDREQPQ-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.50
Rot. Bonds2

About 2,2-difluoro-1-quinolin-6-ylethanamine

2,2-difluoro-1-quinolin-6-ylethanamine (PubChem CID 80604993) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2,2-difluoro-1-quinolin-6-ylethanamine.

Molecular Properties

Compound Name2,2-difluoro-1-quinolin-6-ylethanamine
PubChem CID80604993
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name2,2-difluoro-1-quinolin-6-ylethanamine
SMILESNC(c1ccc2ncccc2c1)C(F)F
InChIInChI=1S/C11H10F2N2/c12-11(13)10(14)8-3-4-9-7(6-8)2-1-5-15-9/h1-6,10-11H,14H2
InChIKeyYRTJPSUJDREQPQ-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-quinolin-6-ylacetonitrile
CID 63968103
(1S)-1-quinolin-6-ylprop-2-en-1-amine
CID 130700290
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
cyclopropyl(quinolin-6-yl)methanamine
CID 55273103
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
1-quinolin-6-ylbutan-1-amine
CID 63095616
2-cyclopropyl-2-methoxy-1-quinolin-6-ylethanamine
CID 116722034
2-quinolin-6-ylpropan-1-amine
CID 79002101
(4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine
CID 105021117
(6-methyl-3-pyridinyl)-quinolin-6-ylmethanamine
CID 63155973
2-fluoro-2-quinolin-6-ylacetyl chloride;hydrochloride
CID 159246626
3-amino-3-quinolin-6-ylpropanenitrile
CID 55273076

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-quinolin-6-ylethanamine?
The IUPAC name of 2,2-difluoro-1-quinolin-6-ylethanamine (CID 80604993) is 2,2-difluoro-1-quinolin-6-ylethanamine.
What is the SMILES notation for 2,2-difluoro-1-quinolin-6-ylethanamine?
The canonical SMILES for 2,2-difluoro-1-quinolin-6-ylethanamine is NC(c1ccc2ncccc2c1)C(F)F.
What is the InChIKey of 2,2-difluoro-1-quinolin-6-ylethanamine?
The InChIKey is YRTJPSUJDREQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c12-11(13)10(14)8-3-4-9-7(6-8)2-1-5-15-9/h1-6,10-11H,14H2.
What are the key properties of 2,2-difluoro-1-quinolin-6-ylethanamine?
2,2-difluoro-1-quinolin-6-ylethanamine has a molecular weight of 208.21 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-quinolin-6-ylethanamine is sourced from PubChem (CID 80604993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).