9H-fluoren-9-ylmethyl N-(7,7,7-trifluoro-6-oxoheptyl)carbamate

C22H22F3NO3 — CID 70067884

IUPAC9H-fluoren-9-ylmethyl N-(7,7,7-trifluoro-6-oxoheptyl)carbamate
SMILESO=C(NCCCCCC(=O)C(F)(F)F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H22F3NO3/c23-22(24,25)20(27)12-2-1-7-13-26-21(28)29-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19H,1-2,7,12-14H2,(H,26,28)
InChIKeyGHRBBCPSNUVTGL-UHFFFAOYSA-N
MW405.42 g/mol
LogP5.22
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-(7,7,7-trifluoro-6-oxoheptyl)carbamate

9H-fluoren-9-ylmethyl N-(7,7,7-trifluoro-6-oxoheptyl)carbamate (PubChem CID 70067884) has the molecular formula C22H22F3NO3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(7,7,7-trifluoro-6-oxoheptyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(7,7,7-trifluoro-6-oxoheptyl)carbamate
PubChem CID70067884
Molecular FormulaC22H22F3NO3
Molecular Weight405.42 g/mol
Exact Mass405.16
IUPAC Name9H-fluoren-9-ylmethyl N-(7,7,7-trifluoro-6-oxoheptyl)carbamate
SMILESO=C(NCCCCCC(=O)C(F)(F)F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H22F3NO3/c23-22(24,25)20(27)12-2-1-7-13-26-21(28)29-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19H,1-2,7,12-14H2,(H,26,28)
InChIKeyGHRBBCPSNUVTGL-UHFFFAOYSA-N
XLogP5.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.42
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid
CID 2756087
N-Fluorenylmethoxycarbonyl-I2-alanine
CID 2724630
(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid
CID 7009636
(2S)-6-amino-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid hydrochloride
CID 11858928
8-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)octanoic acid
CID 2756091
N2-((9H-Fluoren-9-ylmethoxy)carbonyl)lysine
CID 333428
N-(9-Fluorenylmethoxycarbonyl)-3-aminopropan-1-ol
CID 2736488
4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid
CID 2756086
5-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)pentanoic acid
CID 2756098
(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid
CID 2756111
(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-methylhexanoic acid
CID 2761527
(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methylpentanoic acid
CID 2761560

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(7,7,7-trifluoro-6-oxoheptyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(7,7,7-trifluoro-6-oxoheptyl)carbamate (CID 70067884) is 9H-fluoren-9-ylmethyl N-(7,7,7-trifluoro-6-oxoheptyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(7,7,7-trifluoro-6-oxoheptyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(7,7,7-trifluoro-6-oxoheptyl)carbamate is O=C(NCCCCCC(=O)C(F)(F)F)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(7,7,7-trifluoro-6-oxoheptyl)carbamate?
The InChIKey is GHRBBCPSNUVTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NO3/c23-22(24,25)20(27)12-2-1-7-13-26-21(28)29-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19H,1-2,7,12-14H2,(H,26,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-(7,7,7-trifluoro-6-oxoheptyl)carbamate?
9H-fluoren-9-ylmethyl N-(7,7,7-trifluoro-6-oxoheptyl)carbamate has a molecular weight of 405.42 g/mol, XLogP of 5.22, 8 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-(7,7,7-trifluoro-6-oxoheptyl)carbamate is sourced from PubChem (CID 70067884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).