CID 174032694

C14H26BFO3 — CID 174032694

IUPAC—
SMILES[B][C@@H]1O[C@H](COCCCCCC)[C@@H](OCCC)[C@@H]1F
InChIInChI=1S/C14H26BFO3/c1-3-5-6-7-9-17-10-11-13(18-8-4-2)12(16)14(15)19-11/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14-/m1/s1
InChIKeyWVCCTJDNGWZFRL-XJFOESAGSA-N
MW272.17 g/mol
LogP2.61
Rot. Bonds10

About CID 174032694

CID 174032694 (PubChem CID 174032694) has the molecular formula C14H26BFO3 and a molecular weight of 272.17 g/mol.

Molecular Properties

Compound NameCID 174032694
PubChem CID174032694
Molecular FormulaC14H26BFO3
Molecular Weight272.17 g/mol
Exact Mass272.20
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COCCCCCC)[C@@H](OCCC)[C@@H]1F
InChIInChI=1S/C14H26BFO3/c1-3-5-6-7-9-17-10-11-13(18-8-4-2)12(16)14(15)19-11/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14-/m1/s1
InChIKeyWVCCTJDNGWZFRL-XJFOESAGSA-N
XLogP2.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane
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CID 58566890
(2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
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(2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane
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(2R,3S,5S)-3-fluoro-4-methoxy-2-(methoxymethyl)-5-methyloxolane
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(2R,4R,5S)-3-fluoro-4-methoxy-2-(methoxymethyl)-5-methyloxolane
CID 66793434
(2S,4S,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
CID 67126262
2-(1-Butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane
CID 88562007
CID 89296024
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CID 89361836

Frequently Asked Questions

What is the IUPAC name of CID 174032694?
The IUPAC name of CID 174032694 (CID 174032694) is not available.
What is the SMILES notation for CID 174032694?
The canonical SMILES for CID 174032694 is [B][C@@H]1O[C@H](COCCCCCC)[C@@H](OCCC)[C@@H]1F.
What is the InChIKey of CID 174032694?
The InChIKey is WVCCTJDNGWZFRL-XJFOESAGSA-N. The full InChI is InChI=1S/C14H26BFO3/c1-3-5-6-7-9-17-10-11-13(18-8-4-2)12(16)14(15)19-11/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14-/m1/s1.
What are the key properties of CID 174032694?
CID 174032694 has a molecular weight of 272.17 g/mol, XLogP of 2.61, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174032694 is sourced from PubChem (CID 174032694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).