5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline

C15H17F2NO — CID 58044611

IUPAC5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline
SMILESCC(C)(C)C(F)(F)OCc1cccc2ncccc12
InChIInChI=1S/C15H17F2NO/c1-14(2,3)15(16,17)19-10-11-6-4-8-13-12(11)7-5-9-18-13/h4-9H,10H2,1-3H3
InChIKeySYSAOBAIYLKIIV-UHFFFAOYSA-N
MW265.30 g/mol
LogP4.39
Rot. Bonds3

About 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline

5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline (PubChem CID 58044611) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline.

Molecular Properties

Compound Name5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline
PubChem CID58044611
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline
SMILESCC(C)(C)C(F)(F)OCc1cccc2ncccc12
InChIInChI=1S/C15H17F2NO/c1-14(2,3)15(16,17)19-10-11-6-4-8-13-12(11)7-5-9-18-13/h4-9H,10H2,1-3H3
InChIKeySYSAOBAIYLKIIV-UHFFFAOYSA-N
XLogP4.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Hydroxymethyl)quinoline
CID 80479
(2R)-2-quinolin-4-yl-2,3-dihydropyran-6-one
CID 44570284
(Quinolin-5-yl)methanol
CID 823080
3-(Diethoxymethyl)isoquinoline
CID 25058398
1-Methyl-4-(3-phenyloxiran-2-yl)quinolin-1-ium
CID 45489160
2-Quinolin-4-yl-2,3-dihydropyran-6-one
CID 56682196
Quinoline, 4-(2,2,2-trifluoroethoxy)-
CID 13515592
Ethyl quinoline-5-carboxylate
CID 283816
7-Quinolinemethanol
CID 97609
1-Methoxyisoquinolin-5-amine
CID 18545441
2-(Quinolin-5-yl)ethan-1-ol
CID 22504132
[(1R)-1-quinolin-4-ylbut-3-enyl] prop-2-enoate
CID 44570320

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline?
The IUPAC name of 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline (CID 58044611) is 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline.
What is the SMILES notation for 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline?
The canonical SMILES for 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline is CC(C)(C)C(F)(F)OCc1cccc2ncccc12.
What is the InChIKey of 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline?
The InChIKey is SYSAOBAIYLKIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-14(2,3)15(16,17)19-10-11-6-4-8-13-12(11)7-5-9-18-13/h4-9H,10H2,1-3H3.
What are the key properties of 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline?
5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline has a molecular weight of 265.30 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline is sourced from PubChem (CID 58044611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).