CID 123767496

C7H13B6FS — CID 123767496

IUPAC—
SMILESCC[C@H]1SC[C@@H](F)[C@@H]1C.[B]B([B])B([B])[B]
InChIInChI=1S/C7H13FS.B6/c1-3-7-5(2)6(8)4-9-7;1-5(2)6(3)4/h5-7H,3-4H2,1-2H3;/t5-,6+,7+;/m0./s1
InChIKeyWHLRHUXBPVZJNB-VWZUFWLJSA-N
MW213.12 g/mol
LogP0.20
Rot. Bonds2

About CID 123767496

CID 123767496 (PubChem CID 123767496) has the molecular formula C7H13B6FS and a molecular weight of 213.12 g/mol.

Molecular Properties

Compound NameCID 123767496
PubChem CID123767496
Molecular FormulaC7H13B6FS
Molecular Weight213.12 g/mol
Exact Mass214.13
IUPAC Name—
SMILESCC[C@H]1SC[C@@H](F)[C@@H]1C.[B]B([B])B([B])[B]
InChIInChI=1S/C7H13FS.B6/c1-3-7-5(2)6(8)4-9-7;1-5(2)6(3)4/h5-7H,3-4H2,1-2H3;/t5-,6+,7+;/m0./s1
InChIKeyWHLRHUXBPVZJNB-VWZUFWLJSA-N
XLogP0.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.12
LogP ≤ 50.20
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

potassium;acetyl acetate;(2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane;(1S,2R,3S,4S)-2-ethyl-4-fluoro-3-methylthiolane 1-oxide;[(3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-yl] acetate;hydrogen sulfate;methane
CID 160901706
(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane
CID 58320971
5,6-diethyl-1,4-dithian-2-ol
CID 58105778
(2R,3R)-2-ethyl-3,4,5-trimethylthiolane
CID 59070028
2-ethyl-5-methylthiolane-3-thiol
CID 22572183
(4S,5R)-5-ethyl-4-methylthiolan-3-one
CID 134352285
4-ethyl-1,2-difluorocyclopentane
CID 76762029
1-ethyl-2-fluoro-4-methylcyclopentane
CID 91088664
1-cyclopropyl-2-ethyl-4-fluoro-3-methylcyclopentane
CID 134228536
(4R)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-2-ol
CID 167005513
(3aS,4S,6aR)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-thieno[3,4-d]imidazol-2-ol
CID 149237539
4-fluoro-2-methylthiolane
CID 66729895

Frequently Asked Questions

What is the IUPAC name of CID 123767496?
The IUPAC name of CID 123767496 (CID 123767496) is not available.
What is the SMILES notation for CID 123767496?
The canonical SMILES for CID 123767496 is CC[C@H]1SC[C@@H](F)[C@@H]1C.[B]B([B])B([B])[B].
What is the InChIKey of CID 123767496?
The InChIKey is WHLRHUXBPVZJNB-VWZUFWLJSA-N. The full InChI is InChI=1S/C7H13FS.B6/c1-3-7-5(2)6(8)4-9-7;1-5(2)6(3)4/h5-7H,3-4H2,1-2H3;/t5-,6+,7+;/m0./s1.
What are the key properties of CID 123767496?
CID 123767496 has a molecular weight of 213.12 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123767496 is sourced from PubChem (CID 123767496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).