2,2,4,4,6,6,8,8,10,10-decafluorodecanoic acid

C10H10F10O2 — CID 139595709

IUPAC2,2,4,4,6,6,8,8,10,10-decafluorodecanoic acid
SMILESO=C(O)C(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)F
InChIInChI=1S/C10H10F10O2/c11-5(12)1-7(13,14)2-8(15,16)3-9(17,18)4-10(19,20)6(21)22/h5H,1-4H2,(H,21,22)
InChIKeyKCVPOLVQQSHCIX-UHFFFAOYSA-N
MW352.17 g/mol
LogP4.44
Rot. Bonds9

About 2,2,4,4,6,6,8,8,10,10-decafluorodecanoic acid

2,2,4,4,6,6,8,8,10,10-decafluorodecanoic acid (PubChem CID 139595709) has the molecular formula C10H10F10O2 and a molecular weight of 352.17 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8,10,10-decafluorodecanoic acid.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8,10,10-decafluorodecanoic acid
PubChem CID139595709
Molecular FormulaC10H10F10O2
Molecular Weight352.17 g/mol
Exact Mass352.05
IUPAC Name2,2,4,4,6,6,8,8,10,10-decafluorodecanoic acid
SMILESO=C(O)C(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)F
InChIInChI=1S/C10H10F10O2/c11-5(12)1-7(13,14)2-8(15,16)3-9(17,18)4-10(19,20)6(21)22/h5H,1-4H2,(H,21,22)
InChIKeyKCVPOLVQQSHCIX-UHFFFAOYSA-N
XLogP4.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8,10,10-decafluorodecanoic acid?
The IUPAC name of 2,2,4,4,6,6,8,8,10,10-decafluorodecanoic acid (CID 139595709) is 2,2,4,4,6,6,8,8,10,10-decafluorodecanoic acid.
What is the SMILES notation for 2,2,4,4,6,6,8,8,10,10-decafluorodecanoic acid?
The canonical SMILES for 2,2,4,4,6,6,8,8,10,10-decafluorodecanoic acid is O=C(O)C(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)F.
What is the InChIKey of 2,2,4,4,6,6,8,8,10,10-decafluorodecanoic acid?
The InChIKey is KCVPOLVQQSHCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F10O2/c11-5(12)1-7(13,14)2-8(15,16)3-9(17,18)4-10(19,20)6(21)22/h5H,1-4H2,(H,21,22).
What are the key properties of 2,2,4,4,6,6,8,8,10,10-decafluorodecanoic acid?
2,2,4,4,6,6,8,8,10,10-decafluorodecanoic acid has a molecular weight of 352.17 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8,10,10-decafluorodecanoic acid is sourced from PubChem (CID 139595709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).