CID 46897345

C17H10F6NO — CID 46897345

IUPAC—
SMILESOC([C]1[CH][CH][CH][CH]1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C17H10F6NO/c18-16(19,20)12-7-3-6-10-11(15(25)9-4-1-2-5-9)8-13(17(21,22)23)24-14(10)12/h1-8,15,25H
InChIKeyIVTUJGHMWUPTKV-UHFFFAOYSA-N
MW358.26 g/mol
LogP4.71
Rot. Bonds2

About CID 46897345

CID 46897345 (PubChem CID 46897345) has the molecular formula C17H10F6NO and a molecular weight of 358.26 g/mol.

Molecular Properties

Compound NameCID 46897345
PubChem CID46897345
Molecular FormulaC17H10F6NO
Molecular Weight358.26 g/mol
Exact Mass358.07
IUPAC Name—
SMILESOC([C]1[CH][CH][CH][CH]1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C17H10F6NO/c18-16(19,20)12-7-3-6-10-11(15(25)9-4-1-2-5-9)8-13(17(21,22)23)24-14(10)12/h1-8,15,25H
InChIKeyIVTUJGHMWUPTKV-UHFFFAOYSA-N
XLogP4.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
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[2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol
CID 59451320
(2S,3S)-2-amino-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-methylpentan-1-ol
CID 91400299
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-pyrrolidin-1-ylethanol
CID 23004032
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-1-ium-2-yl]methanol
CID 24848226
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[1-(tert-butylamino)propan-2-ylamino]ethanol
CID 54577873
2-[2-aminoethyl(methyl)amino]-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 54577658
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol
CID 59084682
CID 71466931
CID 71466931
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-butoxyethanol
CID 46232979
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(but-3-ynylamino)ethanol
CID 155566747
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol
CID 54578090

Frequently Asked Questions

What is the IUPAC name of CID 46897345?
The IUPAC name of CID 46897345 (CID 46897345) is not available.
What is the SMILES notation for CID 46897345?
The canonical SMILES for CID 46897345 is OC([C]1[CH][CH][CH][CH]1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of CID 46897345?
The InChIKey is IVTUJGHMWUPTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6NO/c18-16(19,20)12-7-3-6-10-11(15(25)9-4-1-2-5-9)8-13(17(21,22)23)24-14(10)12/h1-8,15,25H.
What are the key properties of CID 46897345?
CID 46897345 has a molecular weight of 358.26 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46897345 is sourced from PubChem (CID 46897345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).