benzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate

C18H19F2NO3 — CID 132938956

IUPACbenzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate
SMILESO=C(OCc1ccccc1)N(Cc1ccccc1)CC(F)(F)CO
InChIInChI=1S/C18H19F2NO3/c19-18(20,14-22)13-21(11-15-7-3-1-4-8-15)17(23)24-12-16-9-5-2-6-10-16/h1-10,22H,11-14H2
InChIKeyGQFSPYUZWVCEEJ-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.45
Rot. Bonds7

About benzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate

benzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate (PubChem CID 132938956) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is benzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate
PubChem CID132938956
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Namebenzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate
SMILESO=C(OCc1ccccc1)N(Cc1ccccc1)CC(F)(F)CO
InChIInChI=1S/C18H19F2NO3/c19-18(20,14-22)13-21(11-15-7-3-1-4-8-15)17(23)24-12-16-9-5-2-6-10-16/h1-10,22H,11-14H2
InChIKeyGQFSPYUZWVCEEJ-UHFFFAOYSA-N
XLogP3.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-benzyl-N-ethylcarbamate
CID 70968693
2-[benzyl(phenylmethoxycarbonyl)amino]ethyl-(2-hydroxyethyl)carbamic acid
CID 18423744
benzyl N-benzyl-N-[(hydroxymethyldisulfanyl)methyl]carbamate
CID 90352441
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate
CID 121233905
benzyl N-amino-N-benzylcarbamate;hydrochloride
CID 172789622
benzyl N-(3-chloro-2-oxopropyl)-N-(2,2,2-trifluoroethyl)carbamate
CID 104701540
benzyl (2S)-2-(dibenzylcarbamoyloxy)-3-phenylpropanoate
CID 54215648
benzyl N-(2,2-difluoro-3-hydroxypropyl)-N-methylcarbamate;benzyl N-[3-(1,3-dioxoisoindol-2-yl)-2,2-difluoropropyl]-N-methylcarbamate;isoindole-1,3-dione
CID 158869059
3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol
CID 143474045
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
CID 175696861

Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate?
The IUPAC name of benzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate (CID 132938956) is benzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate.
What is the SMILES notation for benzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate?
The canonical SMILES for benzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate is O=C(OCc1ccccc1)N(Cc1ccccc1)CC(F)(F)CO.
What is the InChIKey of benzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate?
The InChIKey is GQFSPYUZWVCEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c19-18(20,14-22)13-21(11-15-7-3-1-4-8-15)17(23)24-12-16-9-5-2-6-10-16/h1-10,22H,11-14H2.
What are the key properties of benzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate?
benzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate has a molecular weight of 335.35 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzyl-N-(2,2-difluoro-3-hydroxypropyl)carbamate is sourced from PubChem (CID 132938956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).