CID 58879223

C14H20F6NO3 — CID 58879223

IUPAC—
SMILESCC(C)(C)OC(=O)N1[C@@H]([CH]C(C(F)(F)F)C(F)(F)F)COC1(C)C
InChIInChI=1S/C14H20F6NO3/c1-11(2,3)24-10(22)21-8(7-23-12(21,4)5)6-9(13(15,16)17)14(18,19)20/h6,8-9H,7H2,1-5H3/t8-/m0/s1
InChIKeyMWNBNFRNLRQFQY-QMMMGPOBSA-N
MW364.31 g/mol
LogP4.30
Rot. Bonds2

About CID 58879223

CID 58879223 (PubChem CID 58879223) has the molecular formula C14H20F6NO3 and a molecular weight of 364.31 g/mol.

Molecular Properties

Compound NameCID 58879223
PubChem CID58879223
Molecular FormulaC14H20F6NO3
Molecular Weight364.31 g/mol
Exact Mass364.13
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1[C@@H]([CH]C(C(F)(F)F)C(F)(F)F)COC1(C)C
InChIInChI=1S/C14H20F6NO3/c1-11(2,3)24-10(22)21-8(7-23-12(21,4)5)6-9(13(15,16)17)14(18,19)20/h6,8-9H,7H2,1-5H3/t8-/m0/s1
InChIKeyMWNBNFRNLRQFQY-QMMMGPOBSA-N
XLogP4.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2,2-dimethyl-4-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]-1,3-oxazolidine-3-carboxylate
CID 72816401
tert-butyl (4S)-4-[(Z)-2-fluoroethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15319101
tert-butyl (4R)-4-[(Z)-hydroxyiminomethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 100921699
(E)-3-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]prop-2-enoic acid
CID 71040825
tert-butyl (4R)-4-[(Z)-3-bromo-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 638993
tert-butyl (4S)-4-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91132840
tert-butyl 4-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14660983
tert-butyl (4R)-4-(5-bromo-2-methylpent-1-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67918992
tert-butyl (4R)-4-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15344419
tert-butyl 4-[(E)-2-(4-fluorophenyl)ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 87546265
(Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid
CID 11109786
tert-butyl 4-[(2S)-2-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 118469598

Frequently Asked Questions

What is the IUPAC name of CID 58879223?
The IUPAC name of CID 58879223 (CID 58879223) is not available.
What is the SMILES notation for CID 58879223?
The canonical SMILES for CID 58879223 is CC(C)(C)OC(=O)N1[C@@H]([CH]C(C(F)(F)F)C(F)(F)F)COC1(C)C.
What is the InChIKey of CID 58879223?
The InChIKey is MWNBNFRNLRQFQY-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H20F6NO3/c1-11(2,3)24-10(22)21-8(7-23-12(21,4)5)6-9(13(15,16)17)14(18,19)20/h6,8-9H,7H2,1-5H3/t8-/m0/s1.
What are the key properties of CID 58879223?
CID 58879223 has a molecular weight of 364.31 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58879223 is sourced from PubChem (CID 58879223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).