CID 58700662

C8H4F12O — CID 58700662

IUPAC—
SMILES[CH]OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H4F12O/c1-21-2-4(11,12)6(15,16)8(19,20)7(17,18)5(13,14)3(9)10/h1,3H,2H2
InChIKeyUPLDKHHXBVWRNI-UHFFFAOYSA-N
MW344.10 g/mol
LogP4.11
Rot. Bonds7

About CID 58700662

CID 58700662 (PubChem CID 58700662) has the molecular formula C8H4F12O and a molecular weight of 344.10 g/mol.

Molecular Properties

Compound NameCID 58700662
PubChem CID58700662
Molecular FormulaC8H4F12O
Molecular Weight344.10 g/mol
Exact Mass344.01
IUPAC Name—
SMILES[CH]OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H4F12O/c1-21-2-4(11,12)6(15,16)8(19,20)7(17,18)5(13,14)3(9)10/h1,3H,2H2
InChIKeyUPLDKHHXBVWRNI-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.10
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy(trifluoro)-lambda4-sulfane
CID 12653219
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol
CID 2776291
bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl) carbonate
CID 99769617
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy(trimethyl)silane
CID 14981318
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl acetate
CID 13155363
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane
CID 10816307
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl methyl sulfate
CID 148576735
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl 2,2,3,3,4,4,4-heptafluorobutyl carbonate
CID 99769595
bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl) but-2-enedioate
CID 73182527
1,3-bis(2,2,3,3,4,4,5,5,6,6-decafluorohexoxy)propan-2-ol
CID 172565018
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-henicosafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecoxy)undecane
CID 88791163
1,2,3,4,5,6-hexakis(2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctoxy)-1,3,5,2,4,6-triazatriphosphinane
CID 162345591

Frequently Asked Questions

What is the IUPAC name of CID 58700662?
The IUPAC name of CID 58700662 (CID 58700662) is not available.
What is the SMILES notation for CID 58700662?
The canonical SMILES for CID 58700662 is [CH]OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of CID 58700662?
The InChIKey is UPLDKHHXBVWRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F12O/c1-21-2-4(11,12)6(15,16)8(19,20)7(17,18)5(13,14)3(9)10/h1,3H,2H2.
What are the key properties of CID 58700662?
CID 58700662 has a molecular weight of 344.10 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58700662 is sourced from PubChem (CID 58700662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).