CID 154006888

C7H12BFO3 — CID 154006888

IUPAC—
SMILES[B][C@@H]1O[C@H](COC)C(OC)C1F
InChIInChI=1S/C7H12BFO3/c1-10-3-4-6(11-2)5(9)7(8)12-4/h4-7H,3H2,1-2H3/t4-,5?,6?,7-/m1/s1
InChIKeyJILAYWHRRGRTDY-WMXYBCMPSA-N
MW173.98 g/mol
LogP-0.12
Rot. Bonds3

About CID 154006888

CID 154006888 (PubChem CID 154006888) has the molecular formula C7H12BFO3 and a molecular weight of 173.98 g/mol.

Molecular Properties

Compound NameCID 154006888
PubChem CID154006888
Molecular FormulaC7H12BFO3
Molecular Weight173.98 g/mol
Exact Mass174.09
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC)C(OC)C1F
InChIInChI=1S/C7H12BFO3/c1-10-3-4-6(11-2)5(9)7(8)12-4/h4-7H,3H2,1-2H3/t4-,5?,6?,7-/m1/s1
InChIKeyJILAYWHRRGRTDY-WMXYBCMPSA-N
XLogP-0.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.98
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2R,4R,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
CID 158901361
(2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
CID 158901360
CID 160532077
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CID 157389731
CID 157389731
(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
CID 21348493
CID 21348493
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
CID 164706434
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CID 59905781
CID 59905781
CID 140753518
CID 140753518
1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-4-methylidenepyridine
CID 165070456

Frequently Asked Questions

What is the IUPAC name of CID 154006888?
The IUPAC name of CID 154006888 (CID 154006888) is not available.
What is the SMILES notation for CID 154006888?
The canonical SMILES for CID 154006888 is [B][C@@H]1O[C@H](COC)C(OC)C1F.
What is the InChIKey of CID 154006888?
The InChIKey is JILAYWHRRGRTDY-WMXYBCMPSA-N. The full InChI is InChI=1S/C7H12BFO3/c1-10-3-4-6(11-2)5(9)7(8)12-4/h4-7H,3H2,1-2H3/t4-,5?,6?,7-/m1/s1.
What are the key properties of CID 154006888?
CID 154006888 has a molecular weight of 173.98 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154006888 is sourced from PubChem (CID 154006888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).