5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene

C14H10ClF3 — CID 114939619

IUPAC5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
SMILESFC(F)(F)C(Cl)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C14H10ClF3/c15-13(14(16,17)18)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7,13H,4-5H2
InChIKeyICMZUYFLKUABFA-UHFFFAOYSA-N
MW270.68 g/mol
LogP4.78
Rot. Bonds1

About 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene

5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene (PubChem CID 114939619) has the molecular formula C14H10ClF3 and a molecular weight of 270.68 g/mol. Its IUPAC name is 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene.

Molecular Properties

Compound Name5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
PubChem CID114939619
Molecular FormulaC14H10ClF3
Molecular Weight270.68 g/mol
Exact Mass270.04
IUPAC Name5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
SMILESFC(F)(F)C(Cl)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C14H10ClF3/c15-13(14(16,17)18)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7,13H,4-5H2
InChIKeyICMZUYFLKUABFA-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine
CID 66510294
5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939714
5-(1-chloro-3,3,3-trifluoropropyl)-1,2-dihydroacenaphthylene
CID 114939684
1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 114939506
5-(1-bromo-3,3,3-trifluoropropyl)-1,2-dihydroacenaphthylene
CID 114939778
1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114939242
5-(1-chloro-3-cyclopentylpropyl)-1,2-dihydroacenaphthylene
CID 114939639
5-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-1,2-dihydroacenaphthylene
CID 114939601
5-[6-bicyclo[3.1.0]hexanyl(chloro)methyl]-1,2-dihydroacenaphthylene
CID 114939681
5-[chloro-(3-iodophenyl)methyl]-1,2-dihydroacenaphthylene
CID 114939607
3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan
CID 114939633
(R)-(2-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 99707210

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene?
The IUPAC name of 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene (CID 114939619) is 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene.
What is the SMILES notation for 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene?
The canonical SMILES for 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene is FC(F)(F)C(Cl)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene?
The InChIKey is ICMZUYFLKUABFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3/c15-13(14(16,17)18)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7,13H,4-5H2.
What are the key properties of 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene?
5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene has a molecular weight of 270.68 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene is sourced from PubChem (CID 114939619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).