benzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate

C19H28FNO2 — CID 134853923

IUPACbenzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate
SMILESCCCC/C=C(\F)[C@H](CC(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H28FNO2/c1-4-5-7-12-17(20)18(13-15(2)3)21-19(22)23-14-16-10-8-6-9-11-16/h6,8-12,15,18H,4-5,7,13-14H2,1-3H3,(H,21,22)/b17-12-/t18-/m0/s1
InChIKeyLNAGWTWSOOVTLY-FSEPTYSPSA-N
MW321.44 g/mol
LogP5.37
Rot. Bonds9

About benzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate

benzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate (PubChem CID 134853923) has the molecular formula C19H28FNO2 and a molecular weight of 321.44 g/mol. Its IUPAC name is benzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate
PubChem CID134853923
Molecular FormulaC19H28FNO2
Molecular Weight321.44 g/mol
Exact Mass321.21
IUPAC Namebenzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate
SMILESCCCC/C=C(\F)[C@H](CC(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H28FNO2/c1-4-5-7-12-17(20)18(13-15(2)3)21-19(22)23-14-16-10-8-6-9-11-16/h6,8-12,15,18H,4-5,7,13-14H2,1-3H3,(H,21,22)/b17-12-/t18-/m0/s1
InChIKeyLNAGWTWSOOVTLY-FSEPTYSPSA-N
XLogP5.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.44
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-alpha-Benzyloxycarbonyl-D-valine
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate?
The IUPAC name of benzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate (CID 134853923) is benzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate.
What is the SMILES notation for benzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate?
The canonical SMILES for benzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate is CCCC/C=C(\F)[C@H](CC(C)C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate?
The InChIKey is LNAGWTWSOOVTLY-FSEPTYSPSA-N. The full InChI is InChI=1S/C19H28FNO2/c1-4-5-7-12-17(20)18(13-15(2)3)21-19(22)23-14-16-10-8-6-9-11-16/h6,8-12,15,18H,4-5,7,13-14H2,1-3H3,(H,21,22)/b17-12-/t18-/m0/s1.
What are the key properties of benzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate?
benzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate has a molecular weight of 321.44 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(Z,4S)-5-fluoro-2-methyldec-5-en-4-yl]carbamate is sourced from PubChem (CID 134853923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).