CID 162325333

C14H7ClF3NNaO5 — CID 162325333

IUPAC—
SMILESO=C(O)c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-].[Na]
InChIInChI=1S/C14H7ClF3NO5.Na/c15-9-6-7(14(16,17)18)4-5-10(9)24-11-3-1-2-8(13(20)21)12(11)19(22)23;/h1-6H,(H,20,21);
InChIKeyRZGBUVOAAJIHGO-UHFFFAOYSA-N
MW384.65 g/mol
LogP4.38
Rot. Bonds4

About CID 162325333

CID 162325333 (PubChem CID 162325333) has the molecular formula C14H7ClF3NNaO5 and a molecular weight of 384.65 g/mol.

Molecular Properties

Compound NameCID 162325333
PubChem CID162325333
Molecular FormulaC14H7ClF3NNaO5
Molecular Weight384.65 g/mol
Exact Mass383.99
IUPAC Name—
SMILESO=C(O)c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-].[Na]
InChIInChI=1S/C14H7ClF3NO5.Na/c15-9-6-7(14(16,17)18)4-5-10(9)24-11-3-1-2-8(13(20)21)12(11)19(22)23;/h1-6H,(H,20,21);
InChIKeyRZGBUVOAAJIHGO-UHFFFAOYSA-N
XLogP4.38
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.65
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 154280488
2-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 578334
1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 20571965
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid;N-methylmethanamine
CID 12960256
3-chloro-4-(3-methyl-2-nitrophenoxy)benzoic acid
CID 63090546
5-chloro-2-(3-chloro-2-nitrophenoxy)benzoic acid
CID 104839490
2-[2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]-4-nitrophenoxy]phenoxy]acetic acid
CID 19932402
methyl 3-carbamoyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
CID 70488428
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl chloride
CID 19828951
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid
CID 14554243
2-[2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]-4-nitrophenoxy]phenoxy]acetate
CID 19932401

Frequently Asked Questions

What is the IUPAC name of CID 162325333?
The IUPAC name of CID 162325333 (CID 162325333) is not available.
What is the SMILES notation for CID 162325333?
The canonical SMILES for CID 162325333 is O=C(O)c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-].[Na].
What is the InChIKey of CID 162325333?
The InChIKey is RZGBUVOAAJIHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3NO5.Na/c15-9-6-7(14(16,17)18)4-5-10(9)24-11-3-1-2-8(13(20)21)12(11)19(22)23;/h1-6H,(H,20,21);.
What are the key properties of CID 162325333?
CID 162325333 has a molecular weight of 384.65 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162325333 is sourced from PubChem (CID 162325333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).