9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate

C18H18INO2 — CID 101460179

IUPAC9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
SMILESC[C@H](CI)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H18INO2/c1-12(10-19)20-18(21)22-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17H,10-11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyJGQSGVAHYBUYKG-GFCCVEGCSA-N
MW407.25 g/mol
LogP4.35
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate (PubChem CID 101460179) has the molecular formula C18H18INO2 and a molecular weight of 407.25 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
PubChem CID101460179
Molecular FormulaC18H18INO2
Molecular Weight407.25 g/mol
Exact Mass407.04
IUPAC Name9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
SMILESC[C@H](CI)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H18INO2/c1-12(10-19)20-18(21)22-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17H,10-11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyJGQSGVAHYBUYKG-GFCCVEGCSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
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9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
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9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
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2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
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9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate
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methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanedioic acid
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methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-iodobutanoate
CID 91667085

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate (CID 101460179) is 9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate is C[C@H](CI)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate?
The InChIKey is JGQSGVAHYBUYKG-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18INO2/c1-12(10-19)20-18(21)22-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17H,10-11H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate has a molecular weight of 407.25 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate is sourced from PubChem (CID 101460179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).