9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate

C24H22FNO3 — CID 149150407

IUPAC9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate
SMILESC[C@](F)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(O)c1ccccc1
InChIInChI=1S/C24H22FNO3/c1-24(25,22(27)16-9-3-2-4-10-16)26-23(28)29-15-21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)21/h2-14,21-22,27H,15H2,1H3,(H,26,28)/t22?,24-/m0/s1
InChIKeyJBNKIIIORMLUTL-GITCGBDTSA-N
MW391.44 g/mol
LogP4.94
Rot. Bonds5

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

9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate (PubChem CID 149150407) has the molecular formula C24H22FNO3 and a molecular weight of 391.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate
PubChem CID149150407
Molecular FormulaC24H22FNO3
Molecular Weight391.44 g/mol
Exact Mass391.16
IUPAC Name9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate
SMILESC[C@](F)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(O)c1ccccc1
InChIInChI=1S/C24H22FNO3/c1-24(25,22(27)16-9-3-2-4-10-16)26-23(28)29-15-21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)21/h2-14,21-22,27H,15H2,1H3,(H,26,28)/t22?,24-/m0/s1
InChIKeyJBNKIIIORMLUTL-GITCGBDTSA-N
XLogP4.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
CID 6950285
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 63310465
(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid
CID 70650161
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 131697971
9H-fluoren-9-ylmethyl N-(1-fluoro-2-methyl-1-oxobutan-2-yl)carbamate
CID 10315254
(3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid
CID 155270949
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 69328330
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-diphenylpropanoate
CID 75488026
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate
CID 57368211
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-difluoro-3-phenylpropanoic acid
CID 15736060

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate (CID 149150407) is 9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate is C[C@](F)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(O)c1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate?
The InChIKey is JBNKIIIORMLUTL-GITCGBDTSA-N. The full InChI is InChI=1S/C24H22FNO3/c1-24(25,22(27)16-9-3-2-4-10-16)26-23(28)29-15-21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)21/h2-14,21-22,27H,15H2,1H3,(H,26,28)/t22?,24-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate has a molecular weight of 391.44 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2R)-2-fluoro-1-hydroxy-1-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 149150407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).