CID 59248143

C9H11BF2O2 — CID 59248143

IUPAC—
SMILES[B][C@@H]1C[C@](C=C=C)(CO)[C@H](O)C1(F)F
InChIInChI=1S/C9H11BF2O2/c1-2-3-8(5-13)4-6(10)9(11,12)7(8)14/h3,6-7,13-14H,1,4-5H2/t6-,7+,8-/m1/s1
InChIKeyYLNHBDHJPVBPGR-GJMOJQLCSA-N
MW199.99 g/mol
LogP0.66
Rot. Bonds2

About CID 59248143

CID 59248143 (PubChem CID 59248143) has the molecular formula C9H11BF2O2 and a molecular weight of 199.99 g/mol.

Molecular Properties

Compound NameCID 59248143
PubChem CID59248143
Molecular FormulaC9H11BF2O2
Molecular Weight199.99 g/mol
Exact Mass200.08
IUPAC Name—
SMILES[B][C@@H]1C[C@](C=C=C)(CO)[C@H](O)C1(F)F
InChIInChI=1S/C9H11BF2O2/c1-2-3-8(5-13)4-6(10)9(11,12)7(8)14/h3,6-7,13-14H,1,4-5H2/t6-,7+,8-/m1/s1
InChIKeyYLNHBDHJPVBPGR-GJMOJQLCSA-N
XLogP0.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.99
LogP ≤ 50.66
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 59248136
CID 59248136
CID 59248141
CID 59248141
CID 153607464
CID 153607464
CID 59248117
CID 59248117
CID 153607432
CID 153607432
CID 153607443
CID 153607443
2-Ethenyl-2-(hydroxymethyl)cyclopentan-1-ol
CID 12671811

Frequently Asked Questions

What is the IUPAC name of CID 59248143?
The IUPAC name of CID 59248143 (CID 59248143) is not available.
What is the SMILES notation for CID 59248143?
The canonical SMILES for CID 59248143 is [B][C@@H]1C[C@](C=C=C)(CO)[C@H](O)C1(F)F.
What is the InChIKey of CID 59248143?
The InChIKey is YLNHBDHJPVBPGR-GJMOJQLCSA-N. The full InChI is InChI=1S/C9H11BF2O2/c1-2-3-8(5-13)4-6(10)9(11,12)7(8)14/h3,6-7,13-14H,1,4-5H2/t6-,7+,8-/m1/s1.
What are the key properties of CID 59248143?
CID 59248143 has a molecular weight of 199.99 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59248143 is sourced from PubChem (CID 59248143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).