potassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide

C9H10BF3KNO2 — CID 74787649

IUPACpotassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide
SMILESO=C(NC[B-](F)(F)F)OCc1ccccc1.[K+]
InChIInChI=1S/C9H10BF3NO2.K/c11-10(12,13)7-14-9(15)16-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H,14,15);/q-1;+1
InChIKeyKAZMXPMSHNTDRD-UHFFFAOYSA-N
MW271.09 g/mol
LogP-0.70
Rot. Bonds4

About potassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide

potassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide (PubChem CID 74787649) has the molecular formula C9H10BF3KNO2 and a molecular weight of 271.09 g/mol. Its IUPAC name is potassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide
PubChem CID74787649
Molecular FormulaC9H10BF3KNO2
Molecular Weight271.09 g/mol
Exact Mass271.04
IUPAC Namepotassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide
SMILESO=C(NC[B-](F)(F)F)OCc1ccccc1.[K+]
InChIInChI=1S/C9H10BF3NO2.K/c11-10(12,13)7-14-9(15)16-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H,14,15);/q-1;+1
InChIKeyKAZMXPMSHNTDRD-UHFFFAOYSA-N
XLogP-0.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
(2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid
CID 14683731
benzyl N-(2-amino-3,3-difluoropropyl)carbamate
CID 86731696
2-[2-(phenylmethoxycarbonylamino)ethylamino]acetic acid
CID 10354829
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide?
The IUPAC name of potassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide (CID 74787649) is potassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide.
What is the SMILES notation for potassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide?
The canonical SMILES for potassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide is O=C(NC[B-](F)(F)F)OCc1ccccc1.[K+].
What is the InChIKey of potassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide?
The InChIKey is KAZMXPMSHNTDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BF3NO2.K/c11-10(12,13)7-14-9(15)16-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H,14,15);/q-1;+1.
What are the key properties of potassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide?
potassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide has a molecular weight of 271.09 g/mol, XLogP of -0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(phenylmethoxycarbonylaminomethyl)boranuide is sourced from PubChem (CID 74787649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).