(1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine

C12H12F2N2 — CID 171314038

IUPAC(1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine
SMILESN[C@H](CC(F)F)c1ccc2ccccc2n1
InChIInChI=1S/C12H12F2N2/c13-12(14)7-9(15)11-6-5-8-3-1-2-4-10(8)16-11/h1-6,9,12H,7,15H2/t9-/m1/s1
InChIKeyKAUPLVOMFWDWSV-SECBINFHSA-N
MW222.24 g/mol
LogP2.89
Rot. Bonds3

About (1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine

(1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine (PubChem CID 171314038) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is (1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine.

Molecular Properties

Compound Name(1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine
PubChem CID171314038
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine
SMILESN[C@H](CC(F)F)c1ccc2ccccc2n1
InChIInChI=1S/C12H12F2N2/c13-12(14)7-9(15)11-6-5-8-3-1-2-4-10(8)16-11/h1-6,9,12H,7,15H2/t9-/m1/s1
InChIKeyKAUPLVOMFWDWSV-SECBINFHSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-quinolin-2-ylpentan-1-amine
CID 63222429
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
(1R)-1-quinolin-2-ylbutane-1,4-diamine
CID 171216930
(1S)-1-quinolin-2-ylbutane-1,4-diamine
CID 171236567
(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
CID 96860354
2-cyclopentyl-1-quinolin-2-ylethanamine
CID 63222470
amino(quinolin-2-yl)methanol
CID 154237779
2-[(1R)-1-fluoroethyl]quinoline
CID 146161668
3-ethyl-1-quinolin-2-ylheptan-1-amine
CID 63222758
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934
2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine
CID 82910390

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine?
The IUPAC name of (1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine (CID 171314038) is (1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine.
What is the SMILES notation for (1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine?
The canonical SMILES for (1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine is N[C@H](CC(F)F)c1ccc2ccccc2n1.
What is the InChIKey of (1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine?
The InChIKey is KAUPLVOMFWDWSV-SECBINFHSA-N. The full InChI is InChI=1S/C12H12F2N2/c13-12(14)7-9(15)11-6-5-8-3-1-2-4-10(8)16-11/h1-6,9,12H,7,15H2/t9-/m1/s1.
What are the key properties of (1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine?
(1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine has a molecular weight of 222.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine is sourced from PubChem (CID 171314038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).