trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide

C12H14BF3NO2- — CID 99738286

IUPACtrifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
SMILESO=C(NC[C@H]1CCCO1)c1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C12H14BF3NO2/c14-13(15,16)10-5-3-9(4-6-10)12(18)17-8-11-2-1-7-19-11/h3-6,11H,1-2,7-8H2,(H,17,18)/q-1/t11-/m1/s1
InChIKeyBMPRYXAJXNLVKX-LLVKDONJSA-N
MW272.05 g/mol
LogP1.65
Rot. Bonds4

About trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide

trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide (PubChem CID 99738286) has the molecular formula C12H14BF3NO2- and a molecular weight of 272.05 g/mol. Its IUPAC name is trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
PubChem CID99738286
Molecular FormulaC12H14BF3NO2-
Molecular Weight272.05 g/mol
Exact Mass272.11
IUPAC Nametrifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
SMILESO=C(NC[C@H]1CCCO1)c1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C12H14BF3NO2/c14-13(15,16)10-5-3-9(4-6-10)12(18)17-8-11-2-1-7-19-11/h3-6,11H,1-2,7-8H2,(H,17,18)/q-1/t11-/m1/s1
InChIKeyBMPRYXAJXNLVKX-LLVKDONJSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 40973251
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 18160219
N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 25343764
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide
CID 95153483

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide?
The IUPAC name of trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide (CID 99738286) is trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide?
The canonical SMILES for trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide is O=C(NC[C@H]1CCCO1)c1ccc([B-](F)(F)F)cc1.
What is the InChIKey of trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide?
The InChIKey is BMPRYXAJXNLVKX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14BF3NO2/c14-13(15,16)10-5-3-9(4-6-10)12(18)17-8-11-2-1-7-19-11/h3-6,11H,1-2,7-8H2,(H,17,18)/q-1/t11-/m1/s1.
What are the key properties of trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide?
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide has a molecular weight of 272.05 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide is sourced from PubChem (CID 99738286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).