CID 175938314

C16H17F3O3 — CID 175938314

IUPAC—
SMILESFC(F)(F)c1ccc2c(c1)C1(CCC3(CC1)OCCO3)OC2
InChIInChI=1S/C16H17F3O3/c17-16(18,19)12-2-1-11-10-22-14(13(11)9-12)3-5-15(6-4-14)20-7-8-21-15/h1-2,9H,3-8,10H2
InChIKeyHXEMBDQZNGDGLW-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.75
Rot. Bonds

About CID 175938314

CID 175938314 (PubChem CID 175938314) has the molecular formula C16H17F3O3 and a molecular weight of 314.30 g/mol.

Molecular Properties

Compound NameCID 175938314
PubChem CID175938314
Molecular FormulaC16H17F3O3
Molecular Weight314.30 g/mol
Exact Mass314.11
IUPAC Name—
SMILESFC(F)(F)c1ccc2c(c1)C1(CCC3(CC1)OCCO3)OC2
InChIInChI=1S/C16H17F3O3/c17-16(18,19)12-2-1-11-10-22-14(13(11)9-12)3-5-15(6-4-14)20-7-8-21-15/h1-2,9H,3-8,10H2
InChIKeyHXEMBDQZNGDGLW-UHFFFAOYSA-N
XLogP3.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 175938314?
The IUPAC name of CID 175938314 (CID 175938314) is not available.
What is the SMILES notation for CID 175938314?
The canonical SMILES for CID 175938314 is FC(F)(F)c1ccc2c(c1)C1(CCC3(CC1)OCCO3)OC2.
What is the InChIKey of CID 175938314?
The InChIKey is HXEMBDQZNGDGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3O3/c17-16(18,19)12-2-1-11-10-22-14(13(11)9-12)3-5-15(6-4-14)20-7-8-21-15/h1-2,9H,3-8,10H2.
What are the key properties of CID 175938314?
CID 175938314 has a molecular weight of 314.30 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175938314 is sourced from PubChem (CID 175938314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).