9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate

C21H22FNO3 — CID 11121802

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)F
InChIInChI=1S/C21H22FNO3/c1-13(2)11-19(20(22)24)23-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyCXINNFBIQRURSQ-IBGZPJMESA-N
MW355.41 g/mol
LogP4.44
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 11121802) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID11121802
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)F
InChIInChI=1S/C21H22FNO3/c1-13(2)11-19(20(22)24)23-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyCXINNFBIQRURSQ-IBGZPJMESA-N
XLogP4.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate (CID 11121802) is 9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)F.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is CXINNFBIQRURSQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22FNO3/c1-13(2)11-19(20(22)24)23-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,23,25)/t19-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 355.41 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 11121802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).