benzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride

C14H17ClF2N2O2 — CID 154848880

IUPACbenzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride
SMILESCl.NC1CC2(C1)C(NC(=O)OCc1ccccc1)C2(F)F
InChIInChI=1S/C14H16F2N2O2.ClH/c15-14(16)11(13(14)6-10(17)7-13)18-12(19)20-8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8,17H2,(H,18,19);1H
InChIKeyVEZHBSMYJDQHMG-UHFFFAOYSA-N
MW318.75 g/mol
LogP2.46
Rot. Bonds3

About benzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride

benzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride (PubChem CID 154848880) has the molecular formula C14H17ClF2N2O2 and a molecular weight of 318.75 g/mol. Its IUPAC name is benzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride
PubChem CID154848880
Molecular FormulaC14H17ClF2N2O2
Molecular Weight318.75 g/mol
Exact Mass318.09
IUPAC Namebenzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride
SMILESCl.NC1CC2(C1)C(NC(=O)OCc1ccccc1)C2(F)F
InChIInChI=1S/C14H16F2N2O2.ClH/c15-14(16)11(13(14)6-10(17)7-13)18-12(19)20-8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8,17H2,(H,18,19);1H
InChIKeyVEZHBSMYJDQHMG-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.75
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 122164408
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benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 135396711
bis(benzyl N-(3,3-dimethylcyclobutyl)carbamate);bis(3,3-dimethylcyclobutan-1-amine);propan-2-ol
CID 161347483
benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride
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benzyl N-(5,5-difluorooxan-3-yl)carbamate;5,5-difluorooxan-3-amine
CID 159212303
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
3-benzyl-1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 167738824
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
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benzyl N-[(1S,2S)-5,5-difluoro-2-hydroxycyclohexyl]carbamate
CID 169260932
benzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate
CID 70091222

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride?
The IUPAC name of benzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride (CID 154848880) is benzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride.
What is the SMILES notation for benzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride?
The canonical SMILES for benzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride is Cl.NC1CC2(C1)C(NC(=O)OCc1ccccc1)C2(F)F.
What is the InChIKey of benzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride?
The InChIKey is VEZHBSMYJDQHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2.ClH/c15-14(16)11(13(14)6-10(17)7-13)18-12(19)20-8-9-4-2-1-3-5-9;/h1-5,10-11H,6-8,17H2,(H,18,19);1H.
What are the key properties of benzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride?
benzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride has a molecular weight of 318.75 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-amino-2,2-difluorospiro[2.3]hexan-1-yl)carbamate;hydrochloride is sourced from PubChem (CID 154848880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).