(1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride

C12H13ClF2N2 — CID 171314041

IUPAC(1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1ccnc2ccccc12
InChIInChI=1S/C12H12F2N2.ClH/c13-12(14)7-10(15)8-5-6-16-11-4-2-1-3-9(8)11;/h1-6,10,12H,7,15H2;1H/t10-;/m1./s1
InChIKeyWQQIQJPUWOFUTQ-HNCPQSOCSA-N
MW258.70 g/mol
LogP3.31
Rot. Bonds3

About (1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride

(1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride (PubChem CID 171314041) has the molecular formula C12H13ClF2N2 and a molecular weight of 258.70 g/mol. Its IUPAC name is (1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride
PubChem CID171314041
Molecular FormulaC12H13ClF2N2
Molecular Weight258.70 g/mol
Exact Mass258.07
IUPAC Name(1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1ccnc2ccccc12
InChIInChI=1S/C12H12F2N2.ClH/c13-12(14)7-10(15)8-5-6-16-11-4-2-1-3-9(8)11;/h1-6,10,12H,7,15H2;1H/t10-;/m1./s1
InChIKeyWQQIQJPUWOFUTQ-HNCPQSOCSA-N
XLogP3.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine
CID 171313405
(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171236618
(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride
CID 171216978
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride
CID 171217020
(1S)-1-quinolin-4-ylhexan-1-amine;hydrochloride
CID 171236625
(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
CID 171216982
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624
2-(4-bromophenyl)-1-quinolin-4-ylethanamine
CID 105089328
2-amino-1-quinolin-4-ylpropane-1,3-diol
CID 66206365
[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
CID 67722769
3-amino-2-quinolin-4-ylpropan-1-ol
CID 63215939

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride?
The IUPAC name of (1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride (CID 171314041) is (1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride is Cl.N[C@H](CC(F)F)c1ccnc2ccccc12.
What is the InChIKey of (1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride?
The InChIKey is WQQIQJPUWOFUTQ-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H12F2N2.ClH/c13-12(14)7-10(15)8-5-6-16-11-4-2-1-3-9(8)11;/h1-6,10,12H,7,15H2;1H/t10-;/m1./s1.
What are the key properties of (1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride?
(1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride has a molecular weight of 258.70 g/mol, XLogP of 3.31, 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-4-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 171314041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).