benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate

C14H20FNO2 — CID 126639455

IUPACbenzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate
SMILESCC(C)(CCCF)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H20FNO2/c1-14(2,9-6-10-15)16-13(17)18-11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H,16,17)
InChIKeyCVWBXKWKTGPCOZ-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.44
Rot. Bonds6

About benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate

benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate (PubChem CID 126639455) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate
PubChem CID126639455
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Namebenzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate
SMILESCC(C)(CCCF)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H20FNO2/c1-14(2,9-6-10-15)16-13(17)18-11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H,16,17)
InChIKeyCVWBXKWKTGPCOZ-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate
CID 57386791
benzyl N-[(2R)-1-amino-4-fluoro-2-methylbutan-2-yl]carbamate
CID 129412141
benzyl N-(2-methyl-5-piperidin-1-ylpentan-2-yl)carbamate
CID 67310517
S-[3-methyl-3-(phenylmethoxycarbonylamino)butyl] ethanethioate
CID 86665510
benzyl N-[(2R)-2-cyano-4-fluorobutan-2-yl]carbamate
CID 129412139
benzyl N-[4-(2-hydroxyethylsulfonyl)-2-methylbutan-2-yl]carbamate
CID 67507979
benzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate
CID 86724733
(2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 51683257
benzyl N-[(2S)-1-iodo-2-methyl-3-oxobutan-2-yl]carbamate
CID 170047674
benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate
CID 126765970
benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
CID 139247228
lithium benzyl N-(2-methylbut-3-yn-2-yl)carbamate
CID 87939839

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate?
The IUPAC name of benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate (CID 126639455) is benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate?
The canonical SMILES for benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate is CC(C)(CCCF)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate?
The InChIKey is CVWBXKWKTGPCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-14(2,9-6-10-15)16-13(17)18-11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H,16,17).
What are the key properties of benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate?
benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate has a molecular weight of 253.32 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate is sourced from PubChem (CID 126639455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).