CID 139245744

C6H5F3 — CID 139245744

IUPAC—
SMILESFC(F)(F)C1[C]C12CC2
InChIInChI=1S/C6H5F3/c7-6(8,9)4-3-5(4)1-2-5/h4H,1-2H2
InChIKeyQUIIACQAGAPKQV-UHFFFAOYSA-N
MW134.10 g/mol
LogP2.04
Rot. Bonds

About CID 139245744

CID 139245744 (PubChem CID 139245744) has the molecular formula C6H5F3 and a molecular weight of 134.10 g/mol.

Molecular Properties

Compound NameCID 139245744
PubChem CID139245744
Molecular FormulaC6H5F3
Molecular Weight134.10 g/mol
Exact Mass134.03
IUPAC Name—
SMILESFC(F)(F)C1[C]C12CC2
InChIInChI=1S/C6H5F3/c7-6(8,9)4-3-5(4)1-2-5/h4H,1-2H2
InChIKeyQUIIACQAGAPKQV-UHFFFAOYSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.10
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 139245744?
The IUPAC name of CID 139245744 (CID 139245744) is not available.
What is the SMILES notation for CID 139245744?
The canonical SMILES for CID 139245744 is FC(F)(F)C1[C]C12CC2.
What is the InChIKey of CID 139245744?
The InChIKey is QUIIACQAGAPKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3/c7-6(8,9)4-3-5(4)1-2-5/h4H,1-2H2.
What are the key properties of CID 139245744?
CID 139245744 has a molecular weight of 134.10 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139245744 is sourced from PubChem (CID 139245744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).