1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene

C15H16ClF3S — CID 140581910

IUPAC1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene
SMILESCCCc1ccc2c(c1)S(Cl)(C(F)(F)F)C(C1CC1)=C2
InChIInChI=1S/C15H16ClF3S/c1-2-3-10-4-5-12-9-14(11-6-7-11)20(16,13(12)8-10)15(17,18)19/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyUTOJYLAXQDKGRQ-UHFFFAOYSA-N
MW320.81 g/mol
LogP6.24
Rot. Bonds3

About 1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene

1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene (PubChem CID 140581910) has the molecular formula C15H16ClF3S and a molecular weight of 320.81 g/mol. Its IUPAC name is 1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene.

Molecular Properties

Compound Name1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene
PubChem CID140581910
Molecular FormulaC15H16ClF3S
Molecular Weight320.81 g/mol
Exact Mass320.06
IUPAC Name1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene
SMILESCCCc1ccc2c(c1)S(Cl)(C(F)(F)F)C(C1CC1)=C2
InChIInChI=1S/C15H16ClF3S/c1-2-3-10-4-5-12-9-14(11-6-7-11)20(16,13(12)8-10)15(17,18)19/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyUTOJYLAXQDKGRQ-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.81
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-2-cyclopentyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene
CID 140581663
2-tert-butyl-1-chloro-6-propyl-1-(trifluoromethyl)-1-benzothiophene
CID 140581925
1-bromo-2-cyclopropyl-6-ethyl-1-(trifluoromethyl)-1-benzothiophene
CID 140581732
6-tert-butyl-1-chloro-2-propyl-1-(trifluoromethyl)-1-benzothiophene
CID 140581823
1-bromo-2-cyclopropyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene
CID 140581680
[2-cyclohexyl-6-ethyl-1-(trifluoromethyl)-1-benzothiophen-1-yl] trifluoromethanesulfonate
CID 140581667
6-tert-butyl-1-chloro-2-ethyl-1-(trifluoromethyl)-1-benzothiophene
CID 140581912
[2-butyl-6-propyl-1-(trifluoromethyl)-1-benzothiophen-1-yl] trifluoromethanesulfonate
CID 87943750
4-(2-fluoro-4-propylphenyl)oxane
CID 153081672
[2-phenyl-6-propyl-1-(trifluoromethyl)-1-benzothiophen-1-yl] trifluoromethanesulfonate
CID 87943352
N-methyl-6-propylspiro[2H-naphthalene-1,4'-cyclohexane]-1'-amine
CID 149159210
4-chloro-2-cyclopropyl-6-propylquinoline
CID 63408646

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene?
The IUPAC name of 1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene (CID 140581910) is 1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene.
What is the SMILES notation for 1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene?
The canonical SMILES for 1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene is CCCc1ccc2c(c1)S(Cl)(C(F)(F)F)C(C1CC1)=C2.
What is the InChIKey of 1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene?
The InChIKey is UTOJYLAXQDKGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3S/c1-2-3-10-4-5-12-9-14(11-6-7-11)20(16,13(12)8-10)15(17,18)19/h4-5,8-9,11H,2-3,6-7H2,1H3.
What are the key properties of 1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene?
1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene has a molecular weight of 320.81 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene is sourced from PubChem (CID 140581910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).