CID 101458098

C12H7F3N — CID 101458098

IUPAC—
SMILESFc1cc(F)c([N]c2ccccc2)c(F)c1
InChIInChI=1S/C12H7F3N/c13-8-6-10(14)12(11(15)7-8)16-9-4-2-1-3-5-9/h1-7H
InChIKeyISACYSSAQFUGTJ-UHFFFAOYSA-N
MW222.19 g/mol
LogP3.67
Rot. Bonds2

About CID 101458098

CID 101458098 (PubChem CID 101458098) has the molecular formula C12H7F3N and a molecular weight of 222.19 g/mol.

Molecular Properties

Compound NameCID 101458098
PubChem CID101458098
Molecular FormulaC12H7F3N
Molecular Weight222.19 g/mol
Exact Mass222.05
IUPAC Name—
SMILESFc1cc(F)c([N]c2ccccc2)c(F)c1
InChIInChI=1S/C12H7F3N/c13-8-6-10(14)12(11(15)7-8)16-9-4-2-1-3-5-9/h1-7H
InChIKeyISACYSSAQFUGTJ-UHFFFAOYSA-N
XLogP3.67
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 101458098?
The IUPAC name of CID 101458098 (CID 101458098) is not available.
What is the SMILES notation for CID 101458098?
The canonical SMILES for CID 101458098 is Fc1cc(F)c([N]c2ccccc2)c(F)c1.
What is the InChIKey of CID 101458098?
The InChIKey is ISACYSSAQFUGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N/c13-8-6-10(14)12(11(15)7-8)16-9-4-2-1-3-5-9/h1-7H.
What are the key properties of CID 101458098?
CID 101458098 has a molecular weight of 222.19 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101458098 is sourced from PubChem (CID 101458098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).