1-(3-phenoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene

C18H17F3OS — CID 141282868

IUPAC1-(3-phenoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1SC1CCC(Oc2ccccc2)C1
InChIInChI=1S/C18H17F3OS/c19-18(20,21)16-8-4-5-9-17(16)23-15-11-10-14(12-15)22-13-6-2-1-3-7-13/h1-9,14-15H,10-12H2
InChIKeyQNKKDUSUWVBMSB-UHFFFAOYSA-N
MW338.39 g/mol
LogP5.80
Rot. Bonds4

About 1-(3-phenoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene

1-(3-phenoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene (PubChem CID 141282868) has the molecular formula C18H17F3OS and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-(3-phenoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-phenoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene
PubChem CID141282868
Molecular FormulaC18H17F3OS
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name1-(3-phenoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1SC1CCC(Oc2ccccc2)C1
InChIInChI=1S/C18H17F3OS/c19-18(20,21)16-8-4-5-9-17(16)23-15-11-10-14(12-15)22-13-6-2-1-3-7-13/h1-9,14-15H,10-12H2
InChIKeyQNKKDUSUWVBMSB-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.39
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-phenoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene (CID 141282868) is 1-(3-phenoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-phenoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-phenoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene is FC(F)(F)c1ccccc1SC1CCC(Oc2ccccc2)C1.
What is the InChIKey of 1-(3-phenoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene?
The InChIKey is QNKKDUSUWVBMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3OS/c19-18(20,21)16-8-4-5-9-17(16)23-15-11-10-14(12-15)22-13-6-2-1-3-7-13/h1-9,14-15H,10-12H2.
What are the key properties of 1-(3-phenoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene?
1-(3-phenoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene has a molecular weight of 338.39 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 141282868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).