1-cyclopropyl-2,2,2-trifluoroethanol

C5H7F3O — CID 15709643

IUPAC1-cyclopropyl-2,2,2-trifluoroethanol
SMILESOC(C1CC1)C(F)(F)F
InChIInChI=1S/C5H7F3O/c6-5(7,8)4(9)3-1-2-3/h3-4,9H,1-2H2
InChIKeyPQHMFPNCDSFTAV-UHFFFAOYSA-N
MW140.10 g/mol
LogP1.32
Rot. Bonds1

About 1-cyclopropyl-2,2,2-trifluoroethanol

1-cyclopropyl-2,2,2-trifluoroethanol (PubChem CID 15709643) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is 1-cyclopropyl-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-cyclopropyl-2,2,2-trifluoroethanol
PubChem CID15709643
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name1-cyclopropyl-2,2,2-trifluoroethanol
SMILESOC(C1CC1)C(F)(F)F
InChIInChI=1S/C5H7F3O/c6-5(7,8)4(9)3-1-2-3/h3-4,9H,1-2H2
InChIKeyPQHMFPNCDSFTAV-UHFFFAOYSA-N
XLogP1.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,2,2-trifluoroethanol?
The IUPAC name of 1-cyclopropyl-2,2,2-trifluoroethanol (CID 15709643) is 1-cyclopropyl-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-cyclopropyl-2,2,2-trifluoroethanol?
The canonical SMILES for 1-cyclopropyl-2,2,2-trifluoroethanol is OC(C1CC1)C(F)(F)F.
What is the InChIKey of 1-cyclopropyl-2,2,2-trifluoroethanol?
The InChIKey is PQHMFPNCDSFTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c6-5(7,8)4(9)3-1-2-3/h3-4,9H,1-2H2.
What are the key properties of 1-cyclopropyl-2,2,2-trifluoroethanol?
1-cyclopropyl-2,2,2-trifluoroethanol has a molecular weight of 140.10 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,2,2-trifluoroethanol is sourced from PubChem (CID 15709643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).