(5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide

C16H20F5NO4 — CID 177218381

IUPAC(5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide
SMILESCOc1c(C(CC(=O)N(C)O)C(C)[C@@](C)(O)C(F)(F)F)ccc(F)c1F
InChIInChI=1S/C16H20F5NO4/c1-8(15(2,24)16(19,20)21)10(7-12(23)22(3)25)9-5-6-11(17)13(18)14(9)26-4/h5-6,8,10,24-25H,7H2,1-4H3/t8?,10?,15-/m1/s1
InChIKeySDTVAPFNKSQICX-CCRXRLBGSA-N
MW385.33 g/mol
LogP3.24
Rot. Bonds6

About (5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide

(5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide (PubChem CID 177218381) has the molecular formula C16H20F5NO4 and a molecular weight of 385.33 g/mol. Its IUPAC name is (5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide.

Molecular Properties

Compound Name(5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide
PubChem CID177218381
Molecular FormulaC16H20F5NO4
Molecular Weight385.33 g/mol
Exact Mass385.13
IUPAC Name(5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide
SMILESCOc1c(C(CC(=O)N(C)O)C(C)[C@@](C)(O)C(F)(F)F)ccc(F)c1F
InChIInChI=1S/C16H20F5NO4/c1-8(15(2,24)16(19,20)21)10(7-12(23)22(3)25)9-5-6-11(17)13(18)14(9)26-4/h5-6,8,10,24-25H,7H2,1-4H3/t8?,10?,15-/m1/s1
InChIKeySDTVAPFNKSQICX-CCRXRLBGSA-N
XLogP3.24
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide?
The IUPAC name of (5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide (CID 177218381) is (5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide.
What is the SMILES notation for (5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide?
The canonical SMILES for (5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide is COc1c(C(CC(=O)N(C)O)C(C)[C@@](C)(O)C(F)(F)F)ccc(F)c1F.
What is the InChIKey of (5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide?
The InChIKey is SDTVAPFNKSQICX-CCRXRLBGSA-N. The full InChI is InChI=1S/C16H20F5NO4/c1-8(15(2,24)16(19,20)21)10(7-12(23)22(3)25)9-5-6-11(17)13(18)14(9)26-4/h5-6,8,10,24-25H,7H2,1-4H3/t8?,10?,15-/m1/s1.
What are the key properties of (5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide?
(5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide has a molecular weight of 385.33 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3,4-difluoro-2-methoxyphenyl)-6,6,6-trifluoro-N,5-dihydroxy-N,4,5-trimethylhexanamide is sourced from PubChem (CID 177218381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).