CID 100979712

C9H12F6NO2 — CID 100979712

IUPAC—
SMILESCC1(C)CCC(OC(C(F)(F)F)C(F)(F)F)N1[O]
InChIInChI=1S/C9H12F6NO2/c1-7(2)4-3-5(16(7)17)18-6(8(10,11)12)9(13,14)15/h5-6H,3-4H2,1-2H3
InChIKeyIAVJSBRQXZHOFF-UHFFFAOYSA-N
MW280.19 g/mol
LogP3.04
Rot. Bonds2

About CID 100979712

CID 100979712 (PubChem CID 100979712) has the molecular formula C9H12F6NO2 and a molecular weight of 280.19 g/mol.

Molecular Properties

Compound NameCID 100979712
PubChem CID100979712
Molecular FormulaC9H12F6NO2
Molecular Weight280.19 g/mol
Exact Mass280.08
IUPAC Name—
SMILESCC1(C)CCC(OC(C(F)(F)F)C(F)(F)F)N1[O]
InChIInChI=1S/C9H12F6NO2/c1-7(2)4-3-5(16(7)17)18-6(8(10,11)12)9(13,14)15/h5-6H,3-4H2,1-2H3
InChIKeyIAVJSBRQXZHOFF-UHFFFAOYSA-N
XLogP3.04
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 100979712?
The IUPAC name of CID 100979712 (CID 100979712) is not available.
What is the SMILES notation for CID 100979712?
The canonical SMILES for CID 100979712 is CC1(C)CCC(OC(C(F)(F)F)C(F)(F)F)N1[O].
What is the InChIKey of CID 100979712?
The InChIKey is IAVJSBRQXZHOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6NO2/c1-7(2)4-3-5(16(7)17)18-6(8(10,11)12)9(13,14)15/h5-6H,3-4H2,1-2H3.
What are the key properties of CID 100979712?
CID 100979712 has a molecular weight of 280.19 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100979712 is sourced from PubChem (CID 100979712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).