(1,2,2-trifluorocyclobutyl)methanol

C5H7F3O — CID 131517468

IUPAC(1,2,2-trifluorocyclobutyl)methanol
SMILESOCC1(F)CCC1(F)F
InChIInChI=1S/C5H7F3O/c6-4(3-9)1-2-5(4,7)8/h9H,1-3H2
InChIKeyUJPJNOCZSZEDHS-UHFFFAOYSA-N
MW140.10 g/mol
LogP1.12
Rot. Bonds1

About (1,2,2-trifluorocyclobutyl)methanol

(1,2,2-trifluorocyclobutyl)methanol (PubChem CID 131517468) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is (1,2,2-trifluorocyclobutyl)methanol.

Molecular Properties

Compound Name(1,2,2-trifluorocyclobutyl)methanol
PubChem CID131517468
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name(1,2,2-trifluorocyclobutyl)methanol
SMILESOCC1(F)CCC1(F)F
InChIInChI=1S/C5H7F3O/c6-4(3-9)1-2-5(4,7)8/h9H,1-3H2
InChIKeyUJPJNOCZSZEDHS-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1,2,2-trifluorocyclobutyl)methanol?
The IUPAC name of (1,2,2-trifluorocyclobutyl)methanol (CID 131517468) is (1,2,2-trifluorocyclobutyl)methanol.
What is the SMILES notation for (1,2,2-trifluorocyclobutyl)methanol?
The canonical SMILES for (1,2,2-trifluorocyclobutyl)methanol is OCC1(F)CCC1(F)F.
What is the InChIKey of (1,2,2-trifluorocyclobutyl)methanol?
The InChIKey is UJPJNOCZSZEDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c6-4(3-9)1-2-5(4,7)8/h9H,1-3H2.
What are the key properties of (1,2,2-trifluorocyclobutyl)methanol?
(1,2,2-trifluorocyclobutyl)methanol has a molecular weight of 140.10 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2-trifluorocyclobutyl)methanol is sourced from PubChem (CID 131517468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).