CID 58450256

C9H13F3O2 — CID 58450256

IUPAC—
SMILES[CH]OC(C(F)(F)F)C1(C)CCOCC1
InChIInChI=1S/C9H13F3O2/c1-8(3-5-14-6-4-8)7(13-2)9(10,11)12/h2,7H,3-6H2,1H3
InChIKeyCLCZRKHWGXHANW-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.42
Rot. Bonds2

About CID 58450256

CID 58450256 (PubChem CID 58450256) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol.

Molecular Properties

Compound NameCID 58450256
PubChem CID58450256
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name—
SMILES[CH]OC(C(F)(F)F)C1(C)CCOCC1
InChIInChI=1S/C9H13F3O2/c1-8(3-5-14-6-4-8)7(13-2)9(10,11)12/h2,7H,3-6H2,1H3
InChIKeyCLCZRKHWGXHANW-UHFFFAOYSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58450256?
The IUPAC name of CID 58450256 (CID 58450256) is not available.
What is the SMILES notation for CID 58450256?
The canonical SMILES for CID 58450256 is [CH]OC(C(F)(F)F)C1(C)CCOCC1.
What is the InChIKey of CID 58450256?
The InChIKey is CLCZRKHWGXHANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-8(3-5-14-6-4-8)7(13-2)9(10,11)12/h2,7H,3-6H2,1H3.
What are the key properties of CID 58450256?
CID 58450256 has a molecular weight of 210.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450256 is sourced from PubChem (CID 58450256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).