4-(trifluoromethoxy)benzoic acid;hydrochloride

C8H6ClF3O3 — CID 70271899

IUPAC4-(trifluoromethoxy)benzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H5F3O3.ClH/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13);1H
InChIKeyVWCJZYCGORAIIT-UHFFFAOYSA-N
MW242.58 g/mol
LogP2.71
Rot. Bonds2

About 4-(trifluoromethoxy)benzoic acid;hydrochloride

4-(trifluoromethoxy)benzoic acid;hydrochloride (PubChem CID 70271899) has the molecular formula C8H6ClF3O3 and a molecular weight of 242.58 g/mol. Its IUPAC name is 4-(trifluoromethoxy)benzoic acid;hydrochloride.

Molecular Properties

Compound Name4-(trifluoromethoxy)benzoic acid;hydrochloride
PubChem CID70271899
Molecular FormulaC8H6ClF3O3
Molecular Weight242.58 g/mol
Exact Mass242.00
IUPAC Name4-(trifluoromethoxy)benzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H5F3O3.ClH/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13);1H
InChIKeyVWCJZYCGORAIIT-UHFFFAOYSA-N
XLogP2.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.58
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 59303798
CID 59303798
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone
CID 170761962
2-chloro-2,2-difluoro-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 19915312
pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 68682751
4-[4-(trifluoromethoxy)phenyl]benzoate
CID 7016769
4-[1,1,1,2,3,4,5,5,5-nonafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentan-2-yl]oxybenzoic acid
CID 139751161
1,6-bis[4-(trifluoromethoxy)phenyl]hexane-1,6-dione
CID 10502949
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride
CID 67278377
4-[2-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxyethyl]benzoic acid
CID 157226623
2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
CID 141051034
(4-phenylphenyl) 4-(trifluoromethoxy)benzoate
CID 7926515

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)benzoic acid;hydrochloride?
The IUPAC name of 4-(trifluoromethoxy)benzoic acid;hydrochloride (CID 70271899) is 4-(trifluoromethoxy)benzoic acid;hydrochloride.
What is the SMILES notation for 4-(trifluoromethoxy)benzoic acid;hydrochloride?
The canonical SMILES for 4-(trifluoromethoxy)benzoic acid;hydrochloride is Cl.O=C(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethoxy)benzoic acid;hydrochloride?
The InChIKey is VWCJZYCGORAIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O3.ClH/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13);1H.
What are the key properties of 4-(trifluoromethoxy)benzoic acid;hydrochloride?
4-(trifluoromethoxy)benzoic acid;hydrochloride has a molecular weight of 242.58 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)benzoic acid;hydrochloride is sourced from PubChem (CID 70271899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).