2-cyclobutyl-1,1,1-trifluoropropan-2-ol

C7H11F3O — CID 130685158

IUPAC2-cyclobutyl-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(C1CCC1)C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-6(11,7(8,9)10)5-3-2-4-5/h5,11H,2-4H2,1H3
InChIKeyRIVODDDQFLLZNS-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.10
Rot. Bonds1

About 2-cyclobutyl-1,1,1-trifluoropropan-2-ol

2-cyclobutyl-1,1,1-trifluoropropan-2-ol (PubChem CID 130685158) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-cyclobutyl-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-cyclobutyl-1,1,1-trifluoropropan-2-ol
PubChem CID130685158
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2-cyclobutyl-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(C1CCC1)C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-6(11,7(8,9)10)5-3-2-4-5/h5,11H,2-4H2,1H3
InChIKeyRIVODDDQFLLZNS-UHFFFAOYSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-cyclobutyl-1,1,1-trifluoropropan-2-ol (CID 130685158) is 2-cyclobutyl-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-cyclobutyl-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-cyclobutyl-1,1,1-trifluoropropan-2-ol is CC(O)(C1CCC1)C(F)(F)F.
What is the InChIKey of 2-cyclobutyl-1,1,1-trifluoropropan-2-ol?
The InChIKey is RIVODDDQFLLZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-6(11,7(8,9)10)5-3-2-4-5/h5,11H,2-4H2,1H3.
What are the key properties of 2-cyclobutyl-1,1,1-trifluoropropan-2-ol?
2-cyclobutyl-1,1,1-trifluoropropan-2-ol has a molecular weight of 168.16 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 130685158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).