CID 59248134

C10H14BFO2 — CID 59248134

IUPAC—
SMILES[B][C@@H]1C[C@](C=C=C)(CO)[C@H](O)C1(C)F
InChIInChI=1S/C10H14BFO2/c1-3-4-10(6-13)5-7(11)9(2,12)8(10)14/h4,7-8,13-14H,1,5-6H2,2H3/t7-,8-,9?,10-/m1/s1
InChIKeyGFUMJXWHLJKOPF-XKSJUCENSA-N
MW196.03 g/mol
LogP0.76
Rot. Bonds2

About CID 59248134

CID 59248134 (PubChem CID 59248134) has the molecular formula C10H14BFO2 and a molecular weight of 196.03 g/mol.

Molecular Properties

Compound NameCID 59248134
PubChem CID59248134
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)C1(C)F
InChIInChI=1S/C10H14BFO2/c1-3-4-10(6-13)5-7(11)9(2,12)8(10)14/h4,7-8,13-14H,1,5-6H2,2H3/t7-,8-,9?,10-/m1/s1
InChIKeyGFUMJXWHLJKOPF-XKSJUCENSA-N
XLogP0.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.03
LogP ≤ 50.76
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 59248136
CID 59248136
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 153607416
CID 153607416
CID 153607442
CID 153607442
CID 153607443
CID 153607443
CID 153607469
CID 153607469

Frequently Asked Questions

What is the IUPAC name of CID 59248134?
The IUPAC name of CID 59248134 (CID 59248134) is not available.
What is the SMILES notation for CID 59248134?
The canonical SMILES for CID 59248134 is [B][C@@H]1C[C@](C=C=C)(CO)[C@H](O)C1(C)F.
What is the InChIKey of CID 59248134?
The InChIKey is GFUMJXWHLJKOPF-XKSJUCENSA-N. The full InChI is InChI=1S/C10H14BFO2/c1-3-4-10(6-13)5-7(11)9(2,12)8(10)14/h4,7-8,13-14H,1,5-6H2,2H3/t7-,8-,9?,10-/m1/s1.
What are the key properties of CID 59248134?
CID 59248134 has a molecular weight of 196.03 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59248134 is sourced from PubChem (CID 59248134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).