CID 58988704

C5H8F3O2 — CID 58988704

IUPAC—
SMILESCC(O)[CH]C(O)C(F)(F)F
InChIInChI=1S/C5H8F3O2/c1-3(9)2-4(10)5(6,7)8/h2-4,9-10H,1H3
InChIKeyCDBAVLNMJRDZQP-UHFFFAOYSA-N
MW157.11 g/mol
LogP0.49
Rot. Bonds2

About CID 58988704

CID 58988704 (PubChem CID 58988704) has the molecular formula C5H8F3O2 and a molecular weight of 157.11 g/mol.

Molecular Properties

Compound NameCID 58988704
PubChem CID58988704
Molecular FormulaC5H8F3O2
Molecular Weight157.11 g/mol
Exact Mass157.05
IUPAC Name—
SMILESCC(O)[CH]C(O)C(F)(F)F
InChIInChI=1S/C5H8F3O2/c1-3(9)2-4(10)5(6,7)8/h2-4,9-10H,1H3
InChIKeyCDBAVLNMJRDZQP-UHFFFAOYSA-N
XLogP0.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.11
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58988704?
The IUPAC name of CID 58988704 (CID 58988704) is not available.
What is the SMILES notation for CID 58988704?
The canonical SMILES for CID 58988704 is CC(O)[CH]C(O)C(F)(F)F.
What is the InChIKey of CID 58988704?
The InChIKey is CDBAVLNMJRDZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3O2/c1-3(9)2-4(10)5(6,7)8/h2-4,9-10H,1H3.
What are the key properties of CID 58988704?
CID 58988704 has a molecular weight of 157.11 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58988704 is sourced from PubChem (CID 58988704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).