2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid

C14H14F14O2 — CID 139596906

IUPAC2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid
SMILESO=C(O)C(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)F
InChIInChI=1S/C14H14F14O2/c15-7(16)1-9(17,18)2-10(19,20)3-11(21,22)4-12(23,24)5-13(25,26)6-14(27,28)8(29)30/h7H,1-6H2,(H,29,30)
InChIKeyRFPMTAFFMFIXAL-UHFFFAOYSA-N
MW480.24 g/mol
LogP6.49
Rot. Bonds13

About 2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid

2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid (PubChem CID 139596906) has the molecular formula C14H14F14O2 and a molecular weight of 480.24 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid
PubChem CID139596906
Molecular FormulaC14H14F14O2
Molecular Weight480.24 g/mol
Exact Mass480.08
IUPAC Name2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid
SMILESO=C(O)C(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)F
InChIInChI=1S/C14H14F14O2/c15-7(16)1-9(17,18)2-10(19,20)3-11(21,22)4-12(23,24)5-13(25,26)6-14(27,28)8(29)30/h7H,1-6H2,(H,29,30)
InChIKeyRFPMTAFFMFIXAL-UHFFFAOYSA-N
XLogP6.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.24
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid?
The IUPAC name of 2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid (CID 139596906) is 2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid.
What is the SMILES notation for 2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid?
The canonical SMILES for 2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid is O=C(O)C(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)F.
What is the InChIKey of 2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid?
The InChIKey is RFPMTAFFMFIXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F14O2/c15-7(16)1-9(17,18)2-10(19,20)3-11(21,22)4-12(23,24)5-13(25,26)6-14(27,28)8(29)30/h7H,1-6H2,(H,29,30).
What are the key properties of 2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid?
2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid has a molecular weight of 480.24 g/mol, XLogP of 6.49, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8,10,10,12,12,14,14-tetradecafluorotetradecanoic acid is sourced from PubChem (CID 139596906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).