hexafluorisopropanol.Calcium

C3H2CaF6O — CID 129890541

IUPAC—
SMILESC(C(C(F)(F)F)(O)F)(F)F.[Ca]
InChIInChI=1S/C3H2F6O.Ca/c4-1(5)2(6,10)3(7,8)9;/h1,10H;
InChIKeySOUHUBMDNDDSHX-UHFFFAOYSA-N
MW208.12 g/mol
LogP—
Rot. Bonds1

About hexafluorisopropanol.Calcium

hexafluorisopropanol.Calcium (PubChem CID 129890541) has the molecular formula C3H2CaF6O and a molecular weight of 208.12 g/mol.

Molecular Properties

Compound Namehexafluorisopropanol.Calcium
PubChem CID129890541
Molecular FormulaC3H2CaF6O
Molecular Weight208.12 g/mol
Exact Mass207.96
IUPAC Name—
SMILESC(C(C(F)(F)F)(O)F)(F)F.[Ca]
InChIInChI=1S/C3H2F6O.Ca/c4-1(5)2(6,10)3(7,8)9;/h1,10H;
InChIKeySOUHUBMDNDDSHX-UHFFFAOYSA-N
XLogP—
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms11
Complexity119

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,1,1,2,3,3-Hexafluoro-2-propanol
CID 13350568
Pentafluoro isopropanol
CID 21645339
(2S)-1,1,1,2,3,3-hexafluoropropan-2-ol
CID 26343944
1,1,1,2,3,3,3-Heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol
CID 87660779
1,1,2,3-Tetrafluoropropan-2-ol
CID 89233699
1,1,1,2,3,3-Hexafluoropropan-2-ol;hydrochloride
CID 137373746
CID 173685758
CID 173685758
Cobalt;1,1,1,2,3,3-hexafluoropropan-2-ol
CID 174424914
1,1,1,2,3,3-Hexafluoropropan-2-ol;hydrofluoride
CID 174923385
(2R)-1,1,1,2,3,3-hexafluoropropan-2-ol
CID 26343943
1,1,2,3,3-Pentafluoro-2-propanol
CID 101203209
2-Deuteriooxy-1,1,1,2,3,3-hexafluoropropane
CID 13350569

Frequently Asked Questions

What is the IUPAC name of hexafluorisopropanol.Calcium?
The IUPAC name of hexafluorisopropanol.Calcium (CID 129890541) is not available.
What is the SMILES notation for hexafluorisopropanol.Calcium?
The canonical SMILES for hexafluorisopropanol.Calcium is C(C(C(F)(F)F)(O)F)(F)F.[Ca].
What is the InChIKey of hexafluorisopropanol.Calcium?
The InChIKey is SOUHUBMDNDDSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O.Ca/c4-1(5)2(6,10)3(7,8)9;/h1,10H;.
What are the key properties of hexafluorisopropanol.Calcium?
hexafluorisopropanol.Calcium has a molecular weight of 208.12 g/mol, XLogP of not available, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hexafluorisopropanol.Calcium is sourced from PubChem (CID 129890541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).