2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde

C14H7ClF4O2 — CID 170759596

IUPAC2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde
SMILESO=Cc1c(F)ccc(O)c1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H7ClF4O2/c15-10-2-1-7(5-9(10)14(17,18)19)13-8(6-20)11(16)3-4-12(13)21/h1-6,21H
InChIKeyFHWVZHGDVXGXEK-UHFFFAOYSA-N
MW318.65 g/mol
LogP4.68
Rot. Bonds2

About 2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde

2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde (PubChem CID 170759596) has the molecular formula C14H7ClF4O2 and a molecular weight of 318.65 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde
PubChem CID170759596
Molecular FormulaC14H7ClF4O2
Molecular Weight318.65 g/mol
Exact Mass318.01
IUPAC Name2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde
SMILESO=Cc1c(F)ccc(O)c1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H7ClF4O2/c15-10-2-1-7(5-9(10)14(17,18)19)13-8(6-20)11(16)3-4-12(13)21/h1-6,21H
InChIKeyFHWVZHGDVXGXEK-UHFFFAOYSA-N
XLogP4.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.65
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde (CID 170759596) is 2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde is O=Cc1c(F)ccc(O)c1-c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde?
The InChIKey is FHWVZHGDVXGXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4O2/c15-10-2-1-7(5-9(10)14(17,18)19)13-8(6-20)11(16)3-4-12(13)21/h1-6,21H.
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde?
2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde has a molecular weight of 318.65 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde is sourced from PubChem (CID 170759596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).