benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate

C14H18FNO2 — CID 167714380

IUPACbenzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate
SMILESCC1CC(F)(CNC(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H18FNO2/c1-11-7-14(15,8-11)10-16-13(17)18-9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17)
InChIKeyKUYFGMNJTFHOIF-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.05
Rot. Bonds4

About benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate

benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate (PubChem CID 167714380) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate
PubChem CID167714380
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Namebenzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate
SMILESCC1CC(F)(CNC(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H18FNO2/c1-11-7-14(15,8-11)10-16-13(17)18-9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17)
InChIKeyKUYFGMNJTFHOIF-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 135396711
benzyl N-[(3-fluoropyrrolidin-3-yl)methyl]carbamate
CID 118798402
benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate
CID 168763151
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate
CID 71102274
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
3,3-diethyl-1-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylic acid
CID 165485509
benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride
CID 131638009
benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate
CID 175946154
(2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid
CID 14683731
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate?
The IUPAC name of benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate (CID 167714380) is benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate is CC1CC(F)(CNC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate?
The InChIKey is KUYFGMNJTFHOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-11-7-14(15,8-11)10-16-13(17)18-9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,17).
What are the key properties of benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate?
benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate has a molecular weight of 251.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate is sourced from PubChem (CID 167714380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).