hafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol

C5H6F7HfO- — CID 173465008

IUPAChafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol
SMILESCC(O)C(F)(F)F.F[CH-]C(F)(F)F.[Hf]
InChIInChI=1S/C3H5F3O.C2HF4.Hf/c1-2(7)3(4,5)6;3-1-2(4,5)6;/h2,7H,1H3;1H;/q;-1;
InChIKeyVZRAVGQTYAVBRH-UHFFFAOYSA-N
MW393.58 g/mol
LogP2.61
Rot. Bonds

About hafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol

hafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol (PubChem CID 173465008) has the molecular formula C5H6F7HfO- and a molecular weight of 393.58 g/mol. Its IUPAC name is hafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Namehafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol
PubChem CID173465008
Molecular FormulaC5H6F7HfO-
Molecular Weight393.58 g/mol
Exact Mass394.98
IUPAC Namehafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol
SMILESCC(O)C(F)(F)F.F[CH-]C(F)(F)F.[Hf]
InChIInChI=1S/C3H5F3O.C2HF4.Hf/c1-2(7)3(4,5)6;3-1-2(4,5)6;/h2,7H,1H3;1H;/q;-1;
InChIKeyVZRAVGQTYAVBRH-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;1,1,1-trifluoropropan-2-ol
CID 172812336
methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one
CID 157447507
2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol
CID 161162971
3,3,4,5,5,5-hexafluoropentan-2-ol
CID 2775019
3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol
CID 146550154
(NZ)-N-(1,1,1-trifluoro-2,4-dimethylpentan-3-ylidene)hydroxylamine
CID 146656420
3,3,4,4-tetrafluoropentan-2-ol
CID 162564921
(2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride
CID 24797122
(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
CID 18396357
(4R)-1,1,1,5-tetrafluoro-3,3,4-trimethylpentan-2-ol
CID 162572819
propan-2-yl 3,3,3-trifluoro-2-methylpropanoate
CID 13183702
1,2,3,3,3-pentafluoropropan-1-ol
CID 23510551

Frequently Asked Questions

What is the IUPAC name of hafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol?
The IUPAC name of hafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol (CID 173465008) is hafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for hafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol?
The canonical SMILES for hafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol is CC(O)C(F)(F)F.F[CH-]C(F)(F)F.[Hf].
What is the InChIKey of hafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol?
The InChIKey is VZRAVGQTYAVBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O.C2HF4.Hf/c1-2(7)3(4,5)6;3-1-2(4,5)6;/h2,7H,1H3;1H;/q;-1;.
What are the key properties of hafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol?
hafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol has a molecular weight of 393.58 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;1,1,1,2-tetrafluoroethane;1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 173465008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).