2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide

C18H24F4N2O4 — CID 22452343

IUPAC2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide
SMILESCC(F)(CCC(CC(O)CCc1cccc(OC(F)(F)F)c1)C(N)=O)C(N)=O
InChIInChI=1S/C18H24F4N2O4/c1-17(19,16(24)27)8-7-12(15(23)26)10-13(25)6-5-11-3-2-4-14(9-11)28-18(20,21)22/h2-4,9,12-13,25H,5-8,10H2,1H3,(H2,23,26)(H2,24,27)
InChIKeyUNKDAARNFFBOQW-UHFFFAOYSA-N
MW408.39 g/mol
LogP2.36
Rot. Bonds11

About 2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide

2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide (PubChem CID 22452343) has the molecular formula C18H24F4N2O4 and a molecular weight of 408.39 g/mol. Its IUPAC name is 2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide.

Molecular Properties

Compound Name2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide
PubChem CID22452343
Molecular FormulaC18H24F4N2O4
Molecular Weight408.39 g/mol
Exact Mass408.17
IUPAC Name2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide
SMILESCC(F)(CCC(CC(O)CCc1cccc(OC(F)(F)F)c1)C(N)=O)C(N)=O
InChIInChI=1S/C18H24F4N2O4/c1-17(19,16(24)27)8-7-12(15(23)26)10-13(25)6-5-11-3-2-4-14(9-11)28-18(20,21)22/h2-4,9,12-13,25H,5-8,10H2,1H3,(H2,23,26)(H2,24,27)
InChIKeyUNKDAARNFFBOQW-UHFFFAOYSA-N
XLogP2.36
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-[(2S)-4-(3-fluorophenyl)-2-hydroxybutyl]-2-hydroxy-2-methylhexanediamide
CID 10315202
(5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide
CID 21345551
1-[3-(trifluoromethoxy)phenyl]hexan-3-ol
CID 64513226
2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 66848411
1-(3-chlorobutyl)-3-(trifluoromethoxy)benzene
CID 64515626
(5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide
CID 173201456
1,5-bis[3-(trifluoromethoxy)phenyl]pentan-3-one
CID 150145529
(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide
CID 173243874
1-[3-(trifluoromethoxy)phenyl]hexan-3-amine
CID 64505790
N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide
CID 57217920
3-[3-(trifluoromethoxy)phenyl]propanoyl chloride
CID 22011082
1-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]phenoxy]butan-2-ol
CID 135373025

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide?
The IUPAC name of 2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide (CID 22452343) is 2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide.
What is the SMILES notation for 2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide?
The canonical SMILES for 2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide is CC(F)(CCC(CC(O)CCc1cccc(OC(F)(F)F)c1)C(N)=O)C(N)=O.
What is the InChIKey of 2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide?
The InChIKey is UNKDAARNFFBOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F4N2O4/c1-17(19,16(24)27)8-7-12(15(23)26)10-13(25)6-5-11-3-2-4-14(9-11)28-18(20,21)22/h2-4,9,12-13,25H,5-8,10H2,1H3,(H2,23,26)(H2,24,27).
What are the key properties of 2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide?
2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide has a molecular weight of 408.39 g/mol, XLogP of 2.36, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide is sourced from PubChem (CID 22452343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).