6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene

C14H14ClF3O — CID 139961235

IUPAC6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene
SMILESCCCC1=Cc2cc(Cl)c(OC(F)(F)F)cc2CC1
InChIInChI=1S/C14H14ClF3O/c1-2-3-9-4-5-10-8-13(19-14(16,17)18)12(15)7-11(10)6-9/h6-8H,2-5H2,1H3
InChIKeyMKIBRPWHKHRPFK-UHFFFAOYSA-N
MW290.71 g/mol
LogP5.37
Rot. Bonds3

About 6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene

6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene (PubChem CID 139961235) has the molecular formula C14H14ClF3O and a molecular weight of 290.71 g/mol. Its IUPAC name is 6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene
PubChem CID139961235
Molecular FormulaC14H14ClF3O
Molecular Weight290.71 g/mol
Exact Mass290.07
IUPAC Name6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene
SMILESCCCC1=Cc2cc(Cl)c(OC(F)(F)F)cc2CC1
InChIInChI=1S/C14H14ClF3O/c1-2-3-9-4-5-10-8-13(19-14(16,17)18)12(15)7-11(10)6-9/h6-8H,2-5H2,1H3
InChIKeyMKIBRPWHKHRPFK-UHFFFAOYSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.71
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
CID 139961192
3-[2-(4-butylcyclohexyl)ethyl]-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961406
6-fluoro-3-propyl-7-[2-[4-(trifluoromethoxy)phenyl]ethynyl]-1,2-dihydronaphthalene
CID 139961380
6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961115
8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
CID 139960579
8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139960330
3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961089
6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene
CID 139961393
6,8-difluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pentyl-1,2-dihydronaphthalene
CID 139952098
3-chloro-N-ethyl-4-(trifluoromethoxy)aniline;hydrochloride
CID 142726739
1-bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
CID 53217040
5,6-difluoro-2-propyl-1H-indene
CID 139945533

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene?
The IUPAC name of 6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene (CID 139961235) is 6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene.
What is the SMILES notation for 6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene?
The canonical SMILES for 6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene is CCCC1=Cc2cc(Cl)c(OC(F)(F)F)cc2CC1.
What is the InChIKey of 6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene?
The InChIKey is MKIBRPWHKHRPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3O/c1-2-3-9-4-5-10-8-13(19-14(16,17)18)12(15)7-11(10)6-9/h6-8H,2-5H2,1H3.
What are the key properties of 6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene?
6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene has a molecular weight of 290.71 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene is sourced from PubChem (CID 139961235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).