6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene

C14H13ClF6 — CID 103310628

IUPAC6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene
SMILESFC(F)(F)C(C(Cl)c1ccc2c(c1)CCCC2)C(F)(F)F
InChIInChI=1S/C14H13ClF6/c15-11(12(13(16,17)18)14(19,20)21)10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11-12H,1-4H2
InChIKeyMCLRKKSKZFWEPD-UHFFFAOYSA-N
MW330.70 g/mol
LogP5.59
Rot. Bonds2

About 6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene

6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 103310628) has the molecular formula C14H13ClF6 and a molecular weight of 330.70 g/mol. Its IUPAC name is 6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID103310628
Molecular FormulaC14H13ClF6
Molecular Weight330.70 g/mol
Exact Mass330.06
IUPAC Name6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene
SMILESFC(F)(F)C(C(Cl)c1ccc2c(c1)CCCC2)C(F)(F)F
InChIInChI=1S/C14H13ClF6/c15-11(12(13(16,17)18)14(19,20)21)10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11-12H,1-4H2
InChIKeyMCLRKKSKZFWEPD-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.70
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116914316
6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430631
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
N-[2,2,2-trifluoro-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propan-1-amine
CID 43494261
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198708
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene
CID 164603454
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431220
5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
6-(1-bromo-2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 63439172
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122

Frequently Asked Questions

What is the IUPAC name of 6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene (CID 103310628) is 6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene is FC(F)(F)C(C(Cl)c1ccc2c(c1)CCCC2)C(F)(F)F.
What is the InChIKey of 6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is MCLRKKSKZFWEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF6/c15-11(12(13(16,17)18)14(19,20)21)10-6-5-8-3-1-2-4-9(8)7-10/h5-7,11-12H,1-4H2.
What are the key properties of 6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene?
6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 330.70 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 103310628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).