CID 58879226

C11H16F6NO3 — CID 58879226

IUPAC—
SMILESCC(C)(C)OC(=O)N[C@@H]([CH]C(C(F)(F)F)C(F)(F)F)CO
InChIInChI=1S/C11H16F6NO3/c1-9(2,3)21-8(20)18-6(5-19)4-7(10(12,13)14)11(15,16)17/h4,6-7,19H,5H2,1-3H3,(H,18,20)/t6-/m0/s1
InChIKeyCOFPTVNIGHSDIZ-LURJTMIESA-N
MW324.24 g/mol
LogP2.82
Rot. Bonds4

About CID 58879226

CID 58879226 (PubChem CID 58879226) has the molecular formula C11H16F6NO3 and a molecular weight of 324.24 g/mol.

Molecular Properties

Compound NameCID 58879226
PubChem CID58879226
Molecular FormulaC11H16F6NO3
Molecular Weight324.24 g/mol
Exact Mass324.10
IUPAC Name—
SMILESCC(C)(C)OC(=O)N[C@@H]([CH]C(C(F)(F)F)C(F)(F)F)CO
InChIInChI=1S/C11H16F6NO3/c1-9(2,3)21-8(20)18-6(5-19)4-7(10(12,13)14)11(15,16)17/h4,6-7,19H,5H2,1-3H3,(H,18,20)/t6-/m0/s1
InChIKeyCOFPTVNIGHSDIZ-LURJTMIESA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(E)-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate
CID 130003566
tert-butyl N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 87666537
tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate
CID 172915809
tert-butyl N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 10978099
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-[(E,2S)-4-diethoxyphosphoryl-4-fluoro-1-hydroxybut-3-en-2-yl]carbamate
CID 58906699
tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate
CID 86710332
tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288
tert-butyl N-[(E,3S)-hex-4-en-3-yl]carbamate
CID 102602622
tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate
CID 45091925
[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] formate
CID 89296265
tert-butyl N-[(E,2S)-4-(4-bromophenyl)-1-hydroxybut-3-en-2-yl]carbamate
CID 67156334

Frequently Asked Questions

What is the IUPAC name of CID 58879226?
The IUPAC name of CID 58879226 (CID 58879226) is not available.
What is the SMILES notation for CID 58879226?
The canonical SMILES for CID 58879226 is CC(C)(C)OC(=O)N[C@@H]([CH]C(C(F)(F)F)C(F)(F)F)CO.
What is the InChIKey of CID 58879226?
The InChIKey is COFPTVNIGHSDIZ-LURJTMIESA-N. The full InChI is InChI=1S/C11H16F6NO3/c1-9(2,3)21-8(20)18-6(5-19)4-7(10(12,13)14)11(15,16)17/h4,6-7,19H,5H2,1-3H3,(H,18,20)/t6-/m0/s1.
What are the key properties of CID 58879226?
CID 58879226 has a molecular weight of 324.24 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58879226 is sourced from PubChem (CID 58879226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).