benzyl N-(2-amino-3,3-difluoropropyl)carbamate

C11H14F2N2O2 — CID 86731696

IUPACbenzyl N-(2-amino-3,3-difluoropropyl)carbamate
SMILESNC(CNC(=O)OCc1ccccc1)C(F)F
InChIInChI=1S/C11H14F2N2O2/c12-10(13)9(14)6-15-11(16)17-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,16)
InChIKeyHJSXLAKLBBKZNB-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.51
Rot. Bonds5

About benzyl N-(2-amino-3,3-difluoropropyl)carbamate

benzyl N-(2-amino-3,3-difluoropropyl)carbamate (PubChem CID 86731696) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is benzyl N-(2-amino-3,3-difluoropropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-amino-3,3-difluoropropyl)carbamate
PubChem CID86731696
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Namebenzyl N-(2-amino-3,3-difluoropropyl)carbamate
SMILESNC(CNC(=O)OCc1ccccc1)C(F)F
InChIInChI=1S/C11H14F2N2O2/c12-10(13)9(14)6-15-11(16)17-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,16)
InChIKeyHJSXLAKLBBKZNB-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid
CID 14683731
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-(2-amino-2-phenylethyl)carbamate
CID 19016786
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride
CID 69358558
benzyl (2R)-2-amino-3-(phenylmethoxycarbonylamino)propanoate;2,2,2-trifluoroacetic acid
CID 134608665
benzyl N-[(2S)-2-aminopropyl]carbamate;2,2,2-trifluoroacetic acid
CID 172757752
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-amino-3,3-difluoropropyl)carbamate?
The IUPAC name of benzyl N-(2-amino-3,3-difluoropropyl)carbamate (CID 86731696) is benzyl N-(2-amino-3,3-difluoropropyl)carbamate.
What is the SMILES notation for benzyl N-(2-amino-3,3-difluoropropyl)carbamate?
The canonical SMILES for benzyl N-(2-amino-3,3-difluoropropyl)carbamate is NC(CNC(=O)OCc1ccccc1)C(F)F.
What is the InChIKey of benzyl N-(2-amino-3,3-difluoropropyl)carbamate?
The InChIKey is HJSXLAKLBBKZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c12-10(13)9(14)6-15-11(16)17-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,16).
What are the key properties of benzyl N-(2-amino-3,3-difluoropropyl)carbamate?
benzyl N-(2-amino-3,3-difluoropropyl)carbamate has a molecular weight of 244.24 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-amino-3,3-difluoropropyl)carbamate is sourced from PubChem (CID 86731696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).