CID 136814653

C15H22F9Se — CID 136814653

IUPAC—
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCC[Se]
InChIInChI=1S/C15H22F9Se/c16-12(17,13(18,19)14(20,21)15(22,23)24)10-8-6-4-2-1-3-5-7-9-11-25/h1-11H2
InChIKeyVRXQTGYVEVFJES-UHFFFAOYSA-N
MW452.28 g/mol
LogP6.94
Rot. Bonds13

About CID 136814653

CID 136814653 (PubChem CID 136814653) has the molecular formula C15H22F9Se and a molecular weight of 452.28 g/mol.

Molecular Properties

Compound NameCID 136814653
PubChem CID136814653
Molecular FormulaC15H22F9Se
Molecular Weight452.28 g/mol
Exact Mass453.07
IUPAC Name—
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCC[Se]
InChIInChI=1S/C15H22F9Se/c16-12(17,13(18,19)14(20,21)15(22,23)24)10-8-6-4-2-1-3-5-7-9-11-25/h1-11H2
InChIKeyVRXQTGYVEVFJES-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.28
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
CID 99769054
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
14-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetradecane
CID 59389719
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-17-iodoheptadecane
CID 15528996
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)tridecan-1-amine
CID 10533986
7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile
CID 139685068
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951

Frequently Asked Questions

What is the IUPAC name of CID 136814653?
The IUPAC name of CID 136814653 (CID 136814653) is not available.
What is the SMILES notation for CID 136814653?
The canonical SMILES for CID 136814653 is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCC[Se].
What is the InChIKey of CID 136814653?
The InChIKey is VRXQTGYVEVFJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F9Se/c16-12(17,13(18,19)14(20,21)15(22,23)24)10-8-6-4-2-1-3-5-7-9-11-25/h1-11H2.
What are the key properties of CID 136814653?
CID 136814653 has a molecular weight of 452.28 g/mol, XLogP of 6.94, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136814653 is sourced from PubChem (CID 136814653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).