2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol

C7H2F12O2 — CID 174793039

IUPAC2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol
SMILESOC(F)(F)C(=C(F)F)C(O)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H2F12O2/c8-2(9)1(4(11,12)21)3(10,20)5(13,6(14,15)16)7(17,18)19/h20-21H
InChIKeyBTIVDJZOPHUJLD-UHFFFAOYSA-N
MW346.07 g/mol
LogP3.21
Rot. Bonds3

About 2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol

2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol (PubChem CID 174793039) has the molecular formula C7H2F12O2 and a molecular weight of 346.07 g/mol. Its IUPAC name is 2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol.

Molecular Properties

Compound Name2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol
PubChem CID174793039
Molecular FormulaC7H2F12O2
Molecular Weight346.07 g/mol
Exact Mass345.99
IUPAC Name2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol
SMILESOC(F)(F)C(=C(F)F)C(O)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H2F12O2/c8-2(9)1(4(11,12)21)3(10,20)5(13,6(14,15)16)7(17,18)19/h20-21H
InChIKeyBTIVDJZOPHUJLD-UHFFFAOYSA-N
XLogP3.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.07
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol with MolForge

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Related Compounds

1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene
CID 87932326
ethene;1,1,3,3,3-pentafluoro-2-(trifluoromethyl)prop-1-ene
CID 88622012
lithium;hydride;1,1,2,3,3-pentafluoroprop-2-en-1-ol
CID 173355099
potassium;1,1,1,3,4,4,4-heptafluoro-2,3-bis(trifluoromethyl)butan-2-ol;hydride
CID 174272678
2-[difluoro(methoxy)methyl]-1,1,3,3,3-pentafluoroprop-1-ene
CID 15829255
2,2,3,4,5,5,6,7,8,8-decafluoro-3,6-dihydroxy-4-(trifluoromethyl)oct-7-enoic acid
CID 174334537
CID 132604725
CID 132604725
2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene
CID 564811
CID 174756549
CID 174756549
(E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol
CID 139594305
2,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethyl)pentanoyl fluoride
CID 90092935
2-[difluoro(1,2,2-trifluoroethenoxy)methyl]-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
CID 121433205

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol?
The IUPAC name of 2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol (CID 174793039) is 2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol.
What is the SMILES notation for 2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol?
The canonical SMILES for 2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol is OC(F)(F)C(=C(F)F)C(O)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol?
The InChIKey is BTIVDJZOPHUJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F12O2/c8-2(9)1(4(11,12)21)3(10,20)5(13,6(14,15)16)7(17,18)19/h20-21H.
What are the key properties of 2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol?
2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol has a molecular weight of 346.07 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)-1,1,3,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-1,3-diol is sourced from PubChem (CID 174793039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).