3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol

C5H7Cl2F3O — CID 13327472

IUPAC3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol
SMILESCC(C)(O)C(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C5H7Cl2F3O/c1-3(2,11)4(6,7)5(8,9)10/h11H,1-2H3
InChIKeyRPHGABSDHONMPT-UHFFFAOYSA-N
MW211.01 g/mol
LogP2.49
Rot. Bonds1

About 3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol

3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol (PubChem CID 13327472) has the molecular formula C5H7Cl2F3O and a molecular weight of 211.01 g/mol. Its IUPAC name is 3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol
PubChem CID13327472
Molecular FormulaC5H7Cl2F3O
Molecular Weight211.01 g/mol
Exact Mass209.98
IUPAC Name3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol
SMILESCC(C)(O)C(Cl)(Cl)C(F)(F)F
InChIInChI=1S/C5H7Cl2F3O/c1-3(2,11)4(6,7)5(8,9)10/h11H,1-2H3
InChIKeyRPHGABSDHONMPT-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.01
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol
CID 167694152
3,4,4-trichloro-3-fluoro-2-methylbutan-2-ol
CID 119096858
bis(1,1,1-trichloro-2-methylpropan-2-ol);hydrate
CID 5284505
2-chloro-1,1,1,2-tetrafluoropropane;hydrofluoride
CID 160580359
1-chloro-1,1-difluoroethane;hydrate
CID 22410972
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctan-2-ol
CID 14007658
2-chloro-1,1,1,2,3,3-hexafluorobutane
CID 23262588
1-chloro-1,1,3,3,3-pentafluoropropane-2,2-diol
CID 2736631
1,1,2-trichloropropane-1,2-diol
CID 87301844
1-bromo-1-chloro-1-fluoroethane
CID 57450899
1-chloro-1,1,2,2,2-pentafluoroethane;ethane
CID 141108517
CID 155675070
CID 155675070

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol?
The IUPAC name of 3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol (CID 13327472) is 3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol.
What is the SMILES notation for 3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol?
The canonical SMILES for 3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol is CC(C)(O)C(Cl)(Cl)C(F)(F)F.
What is the InChIKey of 3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol?
The InChIKey is RPHGABSDHONMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl2F3O/c1-3(2,11)4(6,7)5(8,9)10/h11H,1-2H3.
What are the key properties of 3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol?
3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol has a molecular weight of 211.01 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-4,4,4-trifluoro-2-methylbutan-2-ol is sourced from PubChem (CID 13327472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).