CID 57448987

C8H6F3 — CID 57448987

IUPAC—
SMILES[CH2]c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H6F3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H2
InChIKeyAIJKDFKWRDREBL-UHFFFAOYSA-N
MW159.13 g/mol
LogP2.89
Rot. Bonds

About CID 57448987

CID 57448987 (PubChem CID 57448987) has the molecular formula C8H6F3 and a molecular weight of 159.13 g/mol.

Molecular Properties

Compound NameCID 57448987
PubChem CID57448987
Molecular FormulaC8H6F3
Molecular Weight159.13 g/mol
Exact Mass159.04
IUPAC Name—
SMILES[CH2]c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H6F3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H2
InChIKeyAIJKDFKWRDREBL-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 57448987?
The IUPAC name of CID 57448987 (CID 57448987) is not available.
What is the SMILES notation for CID 57448987?
The canonical SMILES for CID 57448987 is [CH2]c1cccc(C(F)(F)F)c1.
What is the InChIKey of CID 57448987?
The InChIKey is AIJKDFKWRDREBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H2.
What are the key properties of CID 57448987?
CID 57448987 has a molecular weight of 159.13 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57448987 is sourced from PubChem (CID 57448987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).