1,1,1,3,3,3-hexafluoropropan-2-yloxidanium

C3H3F6O+ — CID 23233478

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yloxidanium
SMILES[OH2+]C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H/p+1
InChIKeyBYEAHWXPCBROCE-UHFFFAOYSA-O
MW169.04 g/mol
LogP1.20
Rot. Bonds

About 1,1,1,3,3,3-hexafluoropropan-2-yloxidanium

1,1,1,3,3,3-hexafluoropropan-2-yloxidanium (PubChem CID 23233478) has the molecular formula C3H3F6O+ and a molecular weight of 169.04 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yloxidanium.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yloxidanium
PubChem CID23233478
Molecular FormulaC3H3F6O+
Molecular Weight169.04 g/mol
Exact Mass169.01
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yloxidanium
SMILES[OH2+]C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H/p+1
InChIKeyBYEAHWXPCBROCE-UHFFFAOYSA-O
XLogP1.20
TPSA22.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.04
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-propanol
CID 13529
2,2,3,3,3-Pentafluoropropanol
CID 9872
1,3-Difluoro-2-propanol
CID 67985
1,1,1-Trifluoro-2-propanol
CID 9774
1,1,1,3,3,4,4,4-Octafluoro-2-butanol
CID 4407544
(2S)-1,1,1-Trifluoropropan-2-ol
CID 6999971
1,1,1,3,3,3-Hexafluoro(2-2H)propan-2-(2H)ol
CID 2724852
1,1-Difluoropropan-2-ol
CID 17775974
(2R)-1,1,1-trifluoropropan-2-ol
CID 6993809
1,1,3,3-Tetrafluoropropan-2-ol
CID 15502725
1,1,1,3,3,3-Hexafluoro-2-propan(ol-d)
CID 16212653
(2R)-1,1-difluoropropan-2-ol
CID 57469932

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yloxidanium?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yloxidanium (CID 23233478) is 1,1,1,3,3,3-hexafluoropropan-2-yloxidanium.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yloxidanium?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yloxidanium is [OH2+]C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yloxidanium?
The InChIKey is BYEAHWXPCBROCE-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H/p+1.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yloxidanium?
1,1,1,3,3,3-hexafluoropropan-2-yloxidanium has a molecular weight of 169.04 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yloxidanium is sourced from PubChem (CID 23233478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).