4-(3,3-difluorooxan-4-yl)quinoline

C14H13F2NO — CID 154031569

IUPAC4-(3,3-difluorooxan-4-yl)quinoline
SMILESFC1(F)COCCC1c1ccnc2ccccc12
InChIInChI=1S/C14H13F2NO/c15-14(16)9-18-8-6-12(14)10-5-7-17-13-4-2-1-3-11(10)13/h1-5,7,12H,6,8-9H2
InChIKeyZFHAUIPOZJUZEW-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.37
Rot. Bonds1

About 4-(3,3-difluorooxan-4-yl)quinoline

4-(3,3-difluorooxan-4-yl)quinoline (PubChem CID 154031569) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 4-(3,3-difluorooxan-4-yl)quinoline.

Molecular Properties

Compound Name4-(3,3-difluorooxan-4-yl)quinoline
PubChem CID154031569
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name4-(3,3-difluorooxan-4-yl)quinoline
SMILESFC1(F)COCCC1c1ccnc2ccccc12
InChIInChI=1S/C14H13F2NO/c15-14(16)9-18-8-6-12(14)10-5-7-17-13-4-2-1-3-11(10)13/h1-5,7,12H,6,8-9H2
InChIKeyZFHAUIPOZJUZEW-UHFFFAOYSA-N
XLogP3.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentylquinoline
CID 57273226
2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine
CID 43818980
4-quinolin-4-ylazetidin-2-one
CID 55255536
2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde
CID 155419700
ethane;2-methyl-4-quinolin-4-ylthiolane 1,1-dioxide
CID 142355386
3-(quinolin-4-ylmethyl)oxan-4-ol
CID 106471125
4-(azepan-2-yl)quinoline
CID 81147055
4-[4-(oxan-4-yl)piperazin-1-yl]quinoline
CID 172900616
3-methylidene-5-quinolin-4-yloxolan-2-one
CID 127052681
1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63852262
4-(2-ethylpyrrolidin-3-yl)quinoline
CID 63868928
3-quinolin-4-yloxirane-2-carboxamide
CID 23186110

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorooxan-4-yl)quinoline?
The IUPAC name of 4-(3,3-difluorooxan-4-yl)quinoline (CID 154031569) is 4-(3,3-difluorooxan-4-yl)quinoline.
What is the SMILES notation for 4-(3,3-difluorooxan-4-yl)quinoline?
The canonical SMILES for 4-(3,3-difluorooxan-4-yl)quinoline is FC1(F)COCCC1c1ccnc2ccccc12.
What is the InChIKey of 4-(3,3-difluorooxan-4-yl)quinoline?
The InChIKey is ZFHAUIPOZJUZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-14(16)9-18-8-6-12(14)10-5-7-17-13-4-2-1-3-11(10)13/h1-5,7,12H,6,8-9H2.
What are the key properties of 4-(3,3-difluorooxan-4-yl)quinoline?
4-(3,3-difluorooxan-4-yl)quinoline has a molecular weight of 249.26 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorooxan-4-yl)quinoline is sourced from PubChem (CID 154031569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).