ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid

C19H23F2NO2 — CID 142561439

IUPACethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
SMILESCC.O=C(O)C(F)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C17H17F2NO2.C2H6/c18-12-5-6-15-14(9-12)13(7-8-20-15)10-1-3-11(4-2-10)16(19)17(21)22;1-2/h5-11,16H,1-4H2,(H,21,22);1-2H3
InChIKeyXBZGXHNTTIGCCV-UHFFFAOYSA-N
MW335.39 g/mol
LogP5.10
Rot. Bonds3

About ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid

ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid (PubChem CID 142561439) has the molecular formula C19H23F2NO2 and a molecular weight of 335.39 g/mol. Its IUPAC name is ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid.

Molecular Properties

Compound Nameethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
PubChem CID142561439
Molecular FormulaC19H23F2NO2
Molecular Weight335.39 g/mol
Exact Mass335.17
IUPAC Nameethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
SMILESCC.O=C(O)C(F)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C17H17F2NO2.C2H6/c18-12-5-6-15-14(9-12)13(7-8-20-15)10-1-3-11(4-2-10)16(19)17(21)22;1-2/h5-11,16H,1-4H2,(H,21,22);1-2H3
InChIKeyXBZGXHNTTIGCCV-UHFFFAOYSA-N
XLogP5.10
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.39
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
CID 142556941
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]acetamide
CID 138549886
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide
CID 142556943
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-methoxy-N-methylpropanamide
CID 142752025
N-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 175886025
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylpropanamide
CID 138595573
2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazole
CID 162465058
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]pyridine-4-carboxamide
CID 146470800
1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]cyclopropane-1-carboxylic acid
CID 138577002
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide
CID 162465060

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid?
The IUPAC name of ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid (CID 142561439) is ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid.
What is the SMILES notation for ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid?
The canonical SMILES for ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid is CC.O=C(O)C(F)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid?
The InChIKey is XBZGXHNTTIGCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2.C2H6/c18-12-5-6-15-14(9-12)13(7-8-20-15)10-1-3-11(4-2-10)16(19)17(21)22;1-2/h5-11,16H,1-4H2,(H,21,22);1-2H3.
What are the key properties of ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid?
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid has a molecular weight of 335.39 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid is sourced from PubChem (CID 142561439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).