CID 100979711

C8H13F3NO2 — CID 100979711

IUPAC—
SMILESCC1(C)CCC(OCC(F)(F)F)N1[O]
InChIInChI=1S/C8H13F3NO2/c1-7(2)4-3-6(12(7)13)14-5-8(9,10)11/h6H,3-5H2,1-2H3
InChIKeyPGCPVSTYBMEPRV-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.11
Rot. Bonds2

About CID 100979711

CID 100979711 (PubChem CID 100979711) has the molecular formula C8H13F3NO2 and a molecular weight of 212.19 g/mol.

Molecular Properties

Compound NameCID 100979711
PubChem CID100979711
Molecular FormulaC8H13F3NO2
Molecular Weight212.19 g/mol
Exact Mass212.09
IUPAC Name—
SMILESCC1(C)CCC(OCC(F)(F)F)N1[O]
InChIInChI=1S/C8H13F3NO2/c1-7(2)4-3-6(12(7)13)14-5-8(9,10)11/h6H,3-5H2,1-2H3
InChIKeyPGCPVSTYBMEPRV-UHFFFAOYSA-N
XLogP2.11
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 100979711?
The IUPAC name of CID 100979711 (CID 100979711) is not available.
What is the SMILES notation for CID 100979711?
The canonical SMILES for CID 100979711 is CC1(C)CCC(OCC(F)(F)F)N1[O].
What is the InChIKey of CID 100979711?
The InChIKey is PGCPVSTYBMEPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3NO2/c1-7(2)4-3-6(12(7)13)14-5-8(9,10)11/h6H,3-5H2,1-2H3.
What are the key properties of CID 100979711?
CID 100979711 has a molecular weight of 212.19 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100979711 is sourced from PubChem (CID 100979711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).