CID 71466931

C16H8F6NO — CID 71466931

IUPAC—
SMILESFC(F)(F)c1cc(O[C]2[CH][CH][CH][CH]2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C16H8F6NO/c17-15(18,19)11-7-3-6-10-12(24-9-4-1-2-5-9)8-13(16(20,21)22)23-14(10)11/h1-8H
InChIKeyOXWQITMZYDKPIN-UHFFFAOYSA-N
MW344.23 g/mol
LogP5.01
Rot. Bonds2

About CID 71466931

CID 71466931 (PubChem CID 71466931) has the molecular formula C16H8F6NO and a molecular weight of 344.23 g/mol.

Molecular Properties

Compound NameCID 71466931
PubChem CID71466931
Molecular FormulaC16H8F6NO
Molecular Weight344.23 g/mol
Exact Mass344.05
IUPAC Name—
SMILESFC(F)(F)c1cc(O[C]2[CH][CH][CH][CH]2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C16H8F6NO/c17-15(18,19)11-7-3-6-10-12(24-9-4-1-2-5-9)8-13(16(20,21)22)23-14(10)11/h1-8H
InChIKeyOXWQITMZYDKPIN-UHFFFAOYSA-N
XLogP5.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.23
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 46861677
CID 46861677
CID 46897345
CID 46897345
4-ethyl-2,8-bis(trifluoromethyl)quinoline
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[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane
CID 23256517
(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 125493987
[2,8-bis(trifluoromethyl)quinolin-4-yl]-deuteriomethanol
CID 88591212
[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-tert-butyl-dimethylsilane
CID 14254845
2-[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-N-(3,5-dimethylphenyl)acetamide
CID 155925506
3-[2,8-bis(trifluoromethyl)quinolin-4-yl]aniline
CID 16728100
5-[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxymethyl]-N,N-diethyl-1,2-oxazole-3-carboxamide
CID 46230084
4-[2,8-bis(trifluoromethyl)quinolin-4-yl]morpholine
CID 16728105
[2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol
CID 59451320

Frequently Asked Questions

What is the IUPAC name of CID 71466931?
The IUPAC name of CID 71466931 (CID 71466931) is not available.
What is the SMILES notation for CID 71466931?
The canonical SMILES for CID 71466931 is FC(F)(F)c1cc(O[C]2[CH][CH][CH][CH]2)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of CID 71466931?
The InChIKey is OXWQITMZYDKPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F6NO/c17-15(18,19)11-7-3-6-10-12(24-9-4-1-2-5-9)8-13(16(20,21)22)23-14(10)11/h1-8H.
What are the key properties of CID 71466931?
CID 71466931 has a molecular weight of 344.23 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71466931 is sourced from PubChem (CID 71466931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).