boric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol

C13H22BFO5 — CID 174908128

IUPACboric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol
SMILESCC(C)(O)C(C)(CF)OCc1ccccc1.OB(O)O
InChIInChI=1S/C13H19FO2.BH3O3/c1-12(2,15)13(3,10-14)16-9-11-7-5-4-6-8-11;2-1(3)4/h4-8,15H,9-10H2,1-3H3;2-4H
InChIKeyGZWHHWBONPZOPH-UHFFFAOYSA-N
MW288.12 g/mol
LogP0.65
Rot. Bonds5

About boric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol

boric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol (PubChem CID 174908128) has the molecular formula C13H22BFO5 and a molecular weight of 288.12 g/mol. Its IUPAC name is boric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol.

Molecular Properties

Compound Nameboric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol
PubChem CID174908128
Molecular FormulaC13H22BFO5
Molecular Weight288.12 g/mol
Exact Mass288.15
IUPAC Nameboric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol
SMILESCC(C)(O)C(C)(CF)OCc1ccccc1.OB(O)O
InChIInChI=1S/C13H19FO2.BH3O3/c1-12(2,15)13(3,10-14)16-9-11-7-5-4-6-8-11;2-1(3)4/h4-8,15H,9-10H2,1-3H3;2-4H
InChIKeyGZWHHWBONPZOPH-UHFFFAOYSA-N
XLogP0.65
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
1-fluoro-3-methyl-3-phenylmethoxybutan-2-ol
CID 14003290
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
CID 58044547
N-methyl-2-phenylmethoxypropan-2-amine
CID 144538471
trifluoro(2-phenylmethoxypropan-2-yl)boranuide
CID 153353035
ethyl 2-hydroxy-2-phenylmethoxypropanoate
CID 18454908
(3-bromo-2,3-dimethylbutan-2-yl)oxymethylbenzene
CID 13234795
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
(2S)-2,3,3-trimethyl-2-phenylmethoxybutanoic acid
CID 14683672
2-bromo-3-methyl-3-phenylmethoxybutanoic acid
CID 129074020
1,1-bis(phenylmethoxy)ethyl propanoate
CID 91309948
methoxy-phenyl-phenylmethoxymethanol
CID 168654991

Frequently Asked Questions

What is the IUPAC name of boric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol?
The IUPAC name of boric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol (CID 174908128) is boric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol.
What is the SMILES notation for boric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol?
The canonical SMILES for boric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol is CC(C)(O)C(C)(CF)OCc1ccccc1.OB(O)O.
What is the InChIKey of boric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol?
The InChIKey is GZWHHWBONPZOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2.BH3O3/c1-12(2,15)13(3,10-14)16-9-11-7-5-4-6-8-11;2-1(3)4/h4-8,15H,9-10H2,1-3H3;2-4H.
What are the key properties of boric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol?
boric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol has a molecular weight of 288.12 g/mol, XLogP of 0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;4-fluoro-2,3-dimethyl-3-phenylmethoxybutan-2-ol is sourced from PubChem (CID 174908128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).