[1-(2,2,2-trifluoroethyl)cyclopropyl]methanol

C6H9F3O — CID 130819654

IUPAC[1-(2,2,2-trifluoroethyl)cyclopropyl]methanol
SMILESOCC1(CC(F)(F)F)CC1
InChIInChI=1S/C6H9F3O/c7-6(8,9)3-5(4-10)1-2-5/h10H,1-4H2
InChIKeyWRSUZSYEVJHDNU-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.71
Rot. Bonds2

About [1-(2,2,2-trifluoroethyl)cyclopropyl]methanol

[1-(2,2,2-trifluoroethyl)cyclopropyl]methanol (PubChem CID 130819654) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)cyclopropyl]methanol
PubChem CID130819654
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name[1-(2,2,2-trifluoroethyl)cyclopropyl]methanol
SMILESOCC1(CC(F)(F)F)CC1
InChIInChI=1S/C6H9F3O/c7-6(8,9)3-5(4-10)1-2-5/h10H,1-4H2
InChIKeyWRSUZSYEVJHDNU-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)cyclopropyl]methanol?
The IUPAC name of [1-(2,2,2-trifluoroethyl)cyclopropyl]methanol (CID 130819654) is [1-(2,2,2-trifluoroethyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)cyclopropyl]methanol?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)cyclopropyl]methanol is OCC1(CC(F)(F)F)CC1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)cyclopropyl]methanol?
The InChIKey is WRSUZSYEVJHDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c7-6(8,9)3-5(4-10)1-2-5/h10H,1-4H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)cyclopropyl]methanol?
[1-(2,2,2-trifluoroethyl)cyclopropyl]methanol has a molecular weight of 154.13 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)cyclopropyl]methanol is sourced from PubChem (CID 130819654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).