4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene

C10H8ClF3O — CID 89103867

IUPAC4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESFC(F)(F)c1ccc2c(c1)OCCC2Cl
InChIInChI=1S/C10H8ClF3O/c11-8-3-4-15-9-5-6(10(12,13)14)1-2-7(8)9/h1-2,5,8H,3-4H2
InChIKeyRVWOEXHZGCHHQJ-UHFFFAOYSA-N
MW236.62 g/mol
LogP3.77
Rot. Bonds

About 4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene

4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene (PubChem CID 89103867) has the molecular formula C10H8ClF3O and a molecular weight of 236.62 g/mol. Its IUPAC name is 4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene
PubChem CID89103867
Molecular FormulaC10H8ClF3O
Molecular Weight236.62 g/mol
Exact Mass236.02
IUPAC Name4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESFC(F)(F)c1ccc2c(c1)OCCC2Cl
InChIInChI=1S/C10H8ClF3O/c11-8-3-4-15-9-5-6(10(12,13)14)1-2-7(8)9/h1-2,5,8H,3-4H2
InChIKeyRVWOEXHZGCHHQJ-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.62
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Chlorobutoxy)-2-methylbenzene
CID 96477
1-(4-Chlorobutoxy)-3-methylbenzene
CID 96478
4-(chloromethyl)-7-methyl-2H-chromen-2-one
CID 907633
1-(Benzyloxy)-2-(chloromethyl)benzene
CID 563507
4-(chloromethyl)-7-ethyl-2H-chromen-2-one
CID 2437243
6-Fluoro-3,4-dihydro-2H-1-benzopyran
CID 11469169
(alphaR,2S)-alpha-(Chloromethyl)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol
CID 44240692
(alphaS,2R)-alpha-(Chloromethyl)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol
CID 46193087
(alphaR,2R)-alpha-(Chloromethyl)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol
CID 67360847
(alphaS,2S)-alpha-(Chloromethyl)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol
CID 67361383
1-(Chloromethyl)-2-ethoxybenzene
CID 2530231
2,2-Difluoro-3,4-dihydro-2H-1-benzopyran
CID 14418574

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene (CID 89103867) is 4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene is FC(F)(F)c1ccc2c(c1)OCCC2Cl.
What is the InChIKey of 4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The InChIKey is RVWOEXHZGCHHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O/c11-8-3-4-15-9-5-6(10(12,13)14)1-2-7(8)9/h1-2,5,8H,3-4H2.
What are the key properties of 4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene?
4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene has a molecular weight of 236.62 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 89103867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).