4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde

C14H10ClFO — CID 178141700

IUPAC4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde
SMILESO=Cc1ccc(Cc2cccc(F)c2Cl)cc1
InChIInChI=1S/C14H10ClFO/c15-14-12(2-1-3-13(14)16)8-10-4-6-11(9-17)7-5-10/h1-7,9H,8H2
InChIKeyZNSREUIGCPVJAW-UHFFFAOYSA-N
MW248.68 g/mol
LogP3.88
Rot. Bonds3

About 4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde

4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde (PubChem CID 178141700) has the molecular formula C14H10ClFO and a molecular weight of 248.68 g/mol. Its IUPAC name is 4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde.

Molecular Properties

Compound Name4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde
PubChem CID178141700
Molecular FormulaC14H10ClFO
Molecular Weight248.68 g/mol
Exact Mass248.04
IUPAC Name4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde
SMILESO=Cc1ccc(Cc2cccc(F)c2Cl)cc1
InChIInChI=1S/C14H10ClFO/c15-14-12(2-1-3-13(14)16)8-10-4-6-11(9-17)7-5-10/h1-7,9H,8H2
InChIKeyZNSREUIGCPVJAW-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
1-[(2-chloro-3-fluorophenyl)methyl]pyrrole-2-carbaldehyde
CID 112652874
2-chloro-1-(2-chloroethyl)-3-fluorobenzene
CID 126973948
(2-chloro-3-fluorophenyl)methanethiol
CID 112652262
1-(bromomethyl)-2-chloro-3-fluorobenzene
CID 44782644
4-chlorobenzaldehyde
CID 7726
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 112652333
4-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutanal
CID 112653106
methyl 2-[(2-chloro-3-fluorophenyl)methyl-ethylamino]acetate
CID 112550265
(2-chloro-3-fluorophenyl)methylhydrazine
CID 81453607
2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde
CID 115886848

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde?
The IUPAC name of 4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde (CID 178141700) is 4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde.
What is the SMILES notation for 4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde?
The canonical SMILES for 4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde is O=Cc1ccc(Cc2cccc(F)c2Cl)cc1.
What is the InChIKey of 4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde?
The InChIKey is ZNSREUIGCPVJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO/c15-14-12(2-1-3-13(14)16)8-10-4-6-11(9-17)7-5-10/h1-7,9H,8H2.
What are the key properties of 4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde?
4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde has a molecular weight of 248.68 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3-fluorophenyl)methyl]benzaldehyde is sourced from PubChem (CID 178141700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).