fluoromethane;1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene

C7H6F12 — CID 159097231

IUPACfluoromethane;1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene
SMILESCF.FC(F)(F)CC(F)(F)F.FC(F)=CC(F)(F)F
InChIInChI=1S/C3H2F6.C3HF5.CH3F/c4-2(5,6)1-3(7,8)9;4-2(5)1-3(6,7)8;1-2/h1H2;1H;1H3
InChIKeyKCUYRHOASVNNJZ-UHFFFAOYSA-N
MW318.10 g/mol
LogP5.42
Rot. Bonds

About fluoromethane;1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene

fluoromethane;1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene (PubChem CID 159097231) has the molecular formula C7H6F12 and a molecular weight of 318.10 g/mol. Its IUPAC name is fluoromethane;1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene.

Molecular Properties

Compound Namefluoromethane;1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene
PubChem CID159097231
Molecular FormulaC7H6F12
Molecular Weight318.10 g/mol
Exact Mass318.03
IUPAC Namefluoromethane;1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene
SMILESCF.FC(F)(F)CC(F)(F)F.FC(F)=CC(F)(F)F
InChIInChI=1S/C3H2F6.C3HF5.CH3F/c4-2(5,6)1-3(7,8)9;4-2(5)1-3(6,7)8;1-2/h1H2;1H;1H3
InChIKeyKCUYRHOASVNNJZ-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.10
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of fluoromethane;1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene?
The IUPAC name of fluoromethane;1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene (CID 159097231) is fluoromethane;1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene.
What is the SMILES notation for fluoromethane;1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene?
The canonical SMILES for fluoromethane;1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene is CF.FC(F)(F)CC(F)(F)F.FC(F)=CC(F)(F)F.
What is the InChIKey of fluoromethane;1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene?
The InChIKey is KCUYRHOASVNNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6.C3HF5.CH3F/c4-2(5,6)1-3(7,8)9;4-2(5)1-3(6,7)8;1-2/h1H2;1H;1H3.
What are the key properties of fluoromethane;1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene?
fluoromethane;1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene has a molecular weight of 318.10 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1,1,1,3,3,3-hexafluoropropane;1,1,3,3,3-pentafluoroprop-1-ene is sourced from PubChem (CID 159097231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).