CID 174134935

C6H10BFO — CID 174134935

IUPAC—
SMILES[B][C@@H]1O[C@H](C)C[C@@]1(C)F
InChIInChI=1S/C6H10BFO/c1-4-3-6(2,8)5(7)9-4/h4-5H,3H2,1-2H3/t4-,5-,6-/m1/s1
InChIKeySDOHZIULQILLPZ-HSUXUTPPSA-N
MW127.95 g/mol
LogP1.02
Rot. Bonds

About CID 174134935

CID 174134935 (PubChem CID 174134935) has the molecular formula C6H10BFO and a molecular weight of 127.95 g/mol.

Molecular Properties

Compound NameCID 174134935
PubChem CID174134935
Molecular FormulaC6H10BFO
Molecular Weight127.95 g/mol
Exact Mass128.08
IUPAC Name—
SMILES[B][C@@H]1O[C@H](C)C[C@@]1(C)F
InChIInChI=1S/C6H10BFO/c1-4-3-6(2,8)5(7)9-4/h4-5H,3H2,1-2H3/t4-,5-,6-/m1/s1
InChIKeySDOHZIULQILLPZ-HSUXUTPPSA-N
XLogP1.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.95
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2R,4R)-2-ethyl-4-fluoro-4-methyloxolane
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4-Fluoro-2,2,4-trimethyloxolane
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4-Fluoro-2,2-dimethyloxolane
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(2R,4R)-4-ethyl-4-fluoro-2-methyloxolane
CID 169630547
2-(Fluoromethyl)-4-methyloxolane
CID 171761963
4-(Fluoromethyl)-2-methyloxolane
CID 171761969
3-Fluoro-2,4-dimethyloxolane
CID 171762004
CID 21040988
CID 21040988
5-(Fluoromethyl)-2,2-dimethyloxolane
CID 178745844
CID 89013343
CID 89013343

Frequently Asked Questions

What is the IUPAC name of CID 174134935?
The IUPAC name of CID 174134935 (CID 174134935) is not available.
What is the SMILES notation for CID 174134935?
The canonical SMILES for CID 174134935 is [B][C@@H]1O[C@H](C)C[C@@]1(C)F.
What is the InChIKey of CID 174134935?
The InChIKey is SDOHZIULQILLPZ-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H10BFO/c1-4-3-6(2,8)5(7)9-4/h4-5H,3H2,1-2H3/t4-,5-,6-/m1/s1.
What are the key properties of CID 174134935?
CID 174134935 has a molecular weight of 127.95 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174134935 is sourced from PubChem (CID 174134935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).