2-[1-(3,3-difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C10H7F9O — CID 58854824

IUPAC2-[1-(3,3-difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(CC=C(F)F)C=C(F)C1
InChIInChI=1S/C10H7F9O/c11-5-3-7(4-5,2-1-6(12)13)8(20,9(14,15)16)10(17,18)19/h1,3,20H,2,4H2
InChIKeyNZKAFMVTPMUTBA-UHFFFAOYSA-N
MW314.15 g/mol
LogP4.26
Rot. Bonds3

About 2-[1-(3,3-difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[1-(3,3-difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 58854824) has the molecular formula C10H7F9O and a molecular weight of 314.15 g/mol. Its IUPAC name is 2-[1-(3,3-difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[1-(3,3-difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID58854824
Molecular FormulaC10H7F9O
Molecular Weight314.15 g/mol
Exact Mass314.04
IUPAC Name2-[1-(3,3-difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(CC=C(F)F)C=C(F)C1
InChIInChI=1S/C10H7F9O/c11-5-3-7(4-5,2-1-6(12)13)8(20,9(14,15)16)10(17,18)19/h1,3,20H,2,4H2
InChIKeyNZKAFMVTPMUTBA-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[1-(3,3-difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 58854824) is 2-[1-(3,3-difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[1-(3,3-difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[1-(3,3-difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C(F)(F)F)(C(F)(F)F)C1(CC=C(F)F)C=C(F)C1.
What is the InChIKey of 2-[1-(3,3-difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is NZKAFMVTPMUTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F9O/c11-5-3-7(4-5,2-1-6(12)13)8(20,9(14,15)16)10(17,18)19/h1,3,20H,2,4H2.
What are the key properties of 2-[1-(3,3-difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[1-(3,3-difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 314.15 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 58854824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).