(2,3,3-trifluorocyclobutyl)methanol

C5H7F3O — CID 68937033

IUPAC(2,3,3-trifluorocyclobutyl)methanol
SMILESOCC1CC(F)(F)C1F
InChIInChI=1S/C5H7F3O/c6-4-3(2-9)1-5(4,7)8/h3-4,9H,1-2H2
InChIKeyICKNSHDMMUCLHB-UHFFFAOYSA-N
MW140.10 g/mol
LogP0.97
Rot. Bonds1

About (2,3,3-trifluorocyclobutyl)methanol

(2,3,3-trifluorocyclobutyl)methanol (PubChem CID 68937033) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is (2,3,3-trifluorocyclobutyl)methanol.

Molecular Properties

Compound Name(2,3,3-trifluorocyclobutyl)methanol
PubChem CID68937033
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name(2,3,3-trifluorocyclobutyl)methanol
SMILESOCC1CC(F)(F)C1F
InChIInChI=1S/C5H7F3O/c6-4-3(2-9)1-5(4,7)8/h3-4,9H,1-2H2
InChIKeyICKNSHDMMUCLHB-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,3,3-trifluorocyclobutyl)methanol?
The IUPAC name of (2,3,3-trifluorocyclobutyl)methanol (CID 68937033) is (2,3,3-trifluorocyclobutyl)methanol.
What is the SMILES notation for (2,3,3-trifluorocyclobutyl)methanol?
The canonical SMILES for (2,3,3-trifluorocyclobutyl)methanol is OCC1CC(F)(F)C1F.
What is the InChIKey of (2,3,3-trifluorocyclobutyl)methanol?
The InChIKey is ICKNSHDMMUCLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c6-4-3(2-9)1-5(4,7)8/h3-4,9H,1-2H2.
What are the key properties of (2,3,3-trifluorocyclobutyl)methanol?
(2,3,3-trifluorocyclobutyl)methanol has a molecular weight of 140.10 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,3-trifluorocyclobutyl)methanol is sourced from PubChem (CID 68937033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).