CID 58544221

C5H8F3O — CID 58544221

IUPAC—
SMILES[CH2]OC(C)(C)C(F)(F)F
InChIInChI=1S/C5H8F3O/c1-4(2,9-3)5(6,7)8/h3H2,1-2H3
InChIKeyAYWBVVUSGGHPFP-UHFFFAOYSA-N
MW141.11 g/mol
LogP2.14
Rot. Bonds1

About CID 58544221

CID 58544221 (PubChem CID 58544221) has the molecular formula C5H8F3O and a molecular weight of 141.11 g/mol.

Molecular Properties

Compound NameCID 58544221
PubChem CID58544221
Molecular FormulaC5H8F3O
Molecular Weight141.11 g/mol
Exact Mass141.05
IUPAC Name—
SMILES[CH2]OC(C)(C)C(F)(F)F
InChIInChI=1S/C5H8F3O/c1-4(2,9-3)5(6,7)8/h3H2,1-2H3
InChIKeyAYWBVVUSGGHPFP-UHFFFAOYSA-N
XLogP2.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.11
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 58544221?
The IUPAC name of CID 58544221 (CID 58544221) is not available.
What is the SMILES notation for CID 58544221?
The canonical SMILES for CID 58544221 is [CH2]OC(C)(C)C(F)(F)F.
What is the InChIKey of CID 58544221?
The InChIKey is AYWBVVUSGGHPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3O/c1-4(2,9-3)5(6,7)8/h3H2,1-2H3.
What are the key properties of CID 58544221?
CID 58544221 has a molecular weight of 141.11 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58544221 is sourced from PubChem (CID 58544221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).