CID 59248136

C10H14BFO2 — CID 59248136

IUPAC—
SMILES[B][C@@H]1C[C@](C=C=C)(CO)[C@H](O)C1CF
InChIInChI=1S/C10H14BFO2/c1-2-3-10(6-13)4-8(11)7(5-12)9(10)14/h3,7-9,13-14H,1,4-6H2/t7?,8-,9-,10-/m1/s1
InChIKeyBMMLUHJVWYXTGN-NPTNVHDASA-N
MW196.03 g/mol
LogP0.61
Rot. Bonds3

About CID 59248136

CID 59248136 (PubChem CID 59248136) has the molecular formula C10H14BFO2 and a molecular weight of 196.03 g/mol.

Molecular Properties

Compound NameCID 59248136
PubChem CID59248136
Molecular FormulaC10H14BFO2
Molecular Weight196.03 g/mol
Exact Mass196.11
IUPAC Name—
SMILES[B][C@@H]1C[C@](C=C=C)(CO)[C@H](O)C1CF
InChIInChI=1S/C10H14BFO2/c1-2-3-10(6-13)4-8(11)7(5-12)9(10)14/h3,7-9,13-14H,1,4-6H2/t7?,8-,9-,10-/m1/s1
InChIKeyBMMLUHJVWYXTGN-NPTNVHDASA-N
XLogP0.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.03
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 59248118
CID 59248118
CID 59248134
CID 59248134
CID 59248141
CID 59248141
CID 59248143
CID 59248143
CID 153607464
CID 153607464
(1S,2S,4S)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyl-3-methylidenecyclopentan-1-ol
CID 162713264
CID 59248117
CID 59248117
CID 59248124
CID 59248124
CID 153607443
CID 153607443
2-Ethenyl-2-(hydroxymethyl)cyclopentan-1-ol
CID 12671811

Frequently Asked Questions

What is the IUPAC name of CID 59248136?
The IUPAC name of CID 59248136 (CID 59248136) is not available.
What is the SMILES notation for CID 59248136?
The canonical SMILES for CID 59248136 is [B][C@@H]1C[C@](C=C=C)(CO)[C@H](O)C1CF.
What is the InChIKey of CID 59248136?
The InChIKey is BMMLUHJVWYXTGN-NPTNVHDASA-N. The full InChI is InChI=1S/C10H14BFO2/c1-2-3-10(6-13)4-8(11)7(5-12)9(10)14/h3,7-9,13-14H,1,4-6H2/t7?,8-,9-,10-/m1/s1.
What are the key properties of CID 59248136?
CID 59248136 has a molecular weight of 196.03 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59248136 is sourced from PubChem (CID 59248136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).