5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde

C14H13ClF3NO — CID 174526566

IUPAC5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde
SMILESO=CC1c2c(cc(Cl)cc2C(F)(F)F)CN1CC1CC1
InChIInChI=1S/C14H13ClF3NO/c15-10-3-9-6-19(5-8-1-2-8)12(7-20)13(9)11(4-10)14(16,17)18/h3-4,7-8,12H,1-2,5-6H2
InChIKeyLZTJVHIZHBMMJF-UHFFFAOYSA-N
MW303.71 g/mol
LogP3.82
Rot. Bonds3

About 5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde

5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde (PubChem CID 174526566) has the molecular formula C14H13ClF3NO and a molecular weight of 303.71 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde
PubChem CID174526566
Molecular FormulaC14H13ClF3NO
Molecular Weight303.71 g/mol
Exact Mass303.06
IUPAC Name5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde
SMILESO=CC1c2c(cc(Cl)cc2C(F)(F)F)CN1CC1CC1
InChIInChI=1S/C14H13ClF3NO/c15-10-3-9-6-19(5-8-1-2-8)12(7-20)13(9)11(4-10)14(16,17)18/h3-4,7-8,12H,1-2,5-6H2
InChIKeyLZTJVHIZHBMMJF-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-3H-isoindol-1-one
CID 57949665
5-Chloro-2-cyclopropyl methyl-7-trifluoromethyl-2,3-dihydro-isoindol-1-one
CID 67251332
5-chloro-2-cyclopropyl-2-methyl-7-(trifluoromethyl)-3H-isoindol-2-ium-1-one
CID 87325136
5-chloro-2-[(1S)-1-cyclopropylethyl]-7-(3,3,3-trifluoroprop-1-en-2-yl)-3H-isoindol-1-one
CID 146544765
5-chloro-2-(1-cyclopropylethyl)-7-(3,3,3-trifluoroprop-1-en-2-yl)-3H-isoindol-1-one
CID 146544766
5-chloro-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-3H-isoindol-1-one
CID 155384083
5-chloro-2-(1-cyclopropylethyl)-7-(trifluoromethyl)-3H-isoindol-1-one
CID 169774651
7-chloro-2-cyclopropyl-5-fluoro-1-methyl-3H-isoindole-1-carbaldehyde
CID 174526558
2-[(4-Chlorophenyl)methyl]-5-fluoro-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde
CID 174526586
5-Chloro-2-[(4-ethylphenyl)methyl]-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde
CID 174526594
7-Chloro-5-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174526613
2-[(4-Chlorophenyl)methyl]-5-fluoro-7-iodo-1,3-dihydroisoindole-1-carbaldehyde
CID 174526677

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde (CID 174526566) is 5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde is O=CC1c2c(cc(Cl)cc2C(F)(F)F)CN1CC1CC1.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde?
The InChIKey is LZTJVHIZHBMMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NO/c15-10-3-9-6-19(5-8-1-2-8)12(7-20)13(9)11(4-10)14(16,17)18/h3-4,7-8,12H,1-2,5-6H2.
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde?
5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde has a molecular weight of 303.71 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-dihydroisoindole-1-carbaldehyde is sourced from PubChem (CID 174526566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).