CID 58450320

C6H7F3O — CID 58450320

IUPAC—
SMILES[CH]OC(C1CC1)C(F)(F)F
InChIInChI=1S/C6H7F3O/c1-10-5(4-2-3-4)6(7,8)9/h1,4-5H,2-3H2
InChIKeySUHCJMFFERBBSJ-UHFFFAOYSA-N
MW152.11 g/mol
LogP2.01
Rot. Bonds2

About CID 58450320

CID 58450320 (PubChem CID 58450320) has the molecular formula C6H7F3O and a molecular weight of 152.11 g/mol.

Molecular Properties

Compound NameCID 58450320
PubChem CID58450320
Molecular FormulaC6H7F3O
Molecular Weight152.11 g/mol
Exact Mass152.04
IUPAC Name—
SMILES[CH]OC(C1CC1)C(F)(F)F
InChIInChI=1S/C6H7F3O/c1-10-5(4-2-3-4)6(7,8)9/h1,4-5H,2-3H2
InChIKeySUHCJMFFERBBSJ-UHFFFAOYSA-N
XLogP2.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 58450320?
The IUPAC name of CID 58450320 (CID 58450320) is not available.
What is the SMILES notation for CID 58450320?
The canonical SMILES for CID 58450320 is [CH]OC(C1CC1)C(F)(F)F.
What is the InChIKey of CID 58450320?
The InChIKey is SUHCJMFFERBBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O/c1-10-5(4-2-3-4)6(7,8)9/h1,4-5H,2-3H2.
What are the key properties of CID 58450320?
CID 58450320 has a molecular weight of 152.11 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450320 is sourced from PubChem (CID 58450320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).