9H-fluoren-9-ylmethyl N-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate

C24H21FINO2 — CID 172798108

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate
SMILESC[C@@H](Cc1cc(I)ccc1F)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21FINO2/c1-15(12-16-13-17(26)10-11-23(16)25)27-24(28)29-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-11,13,15,22H,12,14H2,1H3,(H,27,28)/t15-/m0/s1
InChIKeyQMFIRSPEOWYPPQ-HNNXBMFYSA-N
MW501.34 g/mol
LogP5.90
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate (PubChem CID 172798108) has the molecular formula C24H21FINO2 and a molecular weight of 501.34 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate
PubChem CID172798108
Molecular FormulaC24H21FINO2
Molecular Weight501.34 g/mol
Exact Mass501.06
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate
SMILESC[C@@H](Cc1cc(I)ccc1F)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21FINO2/c1-15(12-16-13-17(26)10-11-23(16)25)27-24(28)29-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-11,13,15,22H,12,14H2,1H3,(H,27,28)/t15-/m0/s1
InChIKeyQMFIRSPEOWYPPQ-HNNXBMFYSA-N
XLogP5.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.34
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 101460179
9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate
CID 168915644
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 154725096
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
CID 20732098
9H-fluoren-9-ylmethyl N-[1-(7-fluoro-1H-indol-3-yl)propan-2-yl]carbamate;formic acid
CID 168915643
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-hydroxy-5-iodo-3-methylphenyl)propanoic acid
CID 170882455
9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate
CID 14777674
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2-fluorophenyl)butanoate
CID 7009727

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate (CID 172798108) is 9H-fluoren-9-ylmethyl N-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate is C[C@@H](Cc1cc(I)ccc1F)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate?
The InChIKey is QMFIRSPEOWYPPQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H21FINO2/c1-15(12-16-13-17(26)10-11-23(16)25)27-24(28)29-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-11,13,15,22H,12,14H2,1H3,(H,27,28)/t15-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate has a molecular weight of 501.34 g/mol, XLogP of 5.90, 5 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-[(2S)-1-(2-fluoro-5-iodophenyl)propan-2-yl]carbamate is sourced from PubChem (CID 172798108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).