CID 59303798

C9H5F3O2 — CID 59303798

IUPAC—
SMILES[CH]C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H5F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h1-5H
InChIKeyQRIDMPRUSBZTKZ-UHFFFAOYSA-N
MW202.13 g/mol
LogP2.48
Rot. Bonds2

About CID 59303798

CID 59303798 (PubChem CID 59303798) has the molecular formula C9H5F3O2 and a molecular weight of 202.13 g/mol.

Molecular Properties

Compound NameCID 59303798
PubChem CID59303798
Molecular FormulaC9H5F3O2
Molecular Weight202.13 g/mol
Exact Mass202.02
IUPAC Name—
SMILES[CH]C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H5F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h1-5H
InChIKeyQRIDMPRUSBZTKZ-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone
CID 170761962
2-chloro-2,2-difluoro-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 19915312
1,6-bis[4-(trifluoromethoxy)phenyl]hexane-1,6-dione
CID 10502949
4-[4-(trifluoromethoxy)phenyl]benzoate
CID 7016769
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 116628410
N,N-ditert-butyl-4-(trifluoromethoxy)benzamide
CID 59614232
(Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one
CID 103970826
pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 68682751
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247

Frequently Asked Questions

What is the IUPAC name of CID 59303798?
The IUPAC name of CID 59303798 (CID 59303798) is not available.
What is the SMILES notation for CID 59303798?
The canonical SMILES for CID 59303798 is [CH]C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of CID 59303798?
The InChIKey is QRIDMPRUSBZTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h1-5H.
What are the key properties of CID 59303798?
CID 59303798 has a molecular weight of 202.13 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303798 is sourced from PubChem (CID 59303798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).