CID 140681926

C7H12BFO3 — CID 140681926

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

About CID 140681926

CID 140681926 (PubChem CID 140681926) has the molecular formula C7H12BFO3 and a molecular weight of 173.98 g/mol.

Molecular Properties

Compound NameCID 140681926
PubChem CID140681926
Molecular FormulaC7H12BFO3
Molecular Weight173.98 g/mol
Exact Mass174.09
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC)C(F)[C@@H]1OC
InChIInChI=1S/C7H12BFO3/c1-10-3-4-5(9)6(11-2)7(8)12-4/h4-7H,3H2,1-2H3/t4-,5?,6+,7-/m1/s1
InChIKeyLMURYGHDYCGRHF-ZFGFBIEISA-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

3-Methoxy-2-(methoxymethyl)oxolane
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CID 59775692
CID 59775692
CID 89296024
CID 89296024
CID 89361836
CID 89361836
CID 89635736
CID 89635736
CID 123643140
CID 123643140
(2S,4S)-4-fluoro-2-(methoxymethyl)oxolane
CID 126593402
(5S)-2-fluoro-5-(methoxymethyl)oxolane
CID 145259375
CID 154006888
CID 154006888
(4R)-4-fluoro-2-(methoxymethyl)oxolane
CID 166157774
2-(2-Fluoroethoxymethyl)oxolane
CID 172481707
(2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane
CID 173315719

Frequently Asked Questions

What is the IUPAC name of CID 140681926?
The IUPAC name of CID 140681926 (CID 140681926) is not available.
What is the SMILES notation for CID 140681926?
The canonical SMILES for CID 140681926 is [B][C@@H]1O[C@H](COC)C(F)[C@@H]1OC.
What is the InChIKey of CID 140681926?
The InChIKey is LMURYGHDYCGRHF-ZFGFBIEISA-N. The full InChI is InChI=1S/C7H12BFO3/c1-10-3-4-5(9)6(11-2)7(8)12-4/h4-7H,3H2,1-2H3/t4-,5?,6+,7-/m1/s1.
What are the key properties of CID 140681926?
CID 140681926 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 140681926 is sourced from PubChem (CID 140681926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).