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

C13H15F3OS — CID 141282852

IUPAC1-(3-methoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene
SMILESCOC1CCC(Sc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H15F3OS/c1-17-9-6-7-10(8-9)18-12-5-3-2-4-11(12)13(14,15)16/h2-5,9-10H,6-8H2,1H3
InChIKeyNXNAFADWSCKYDY-UHFFFAOYSA-N
MW276.32 g/mol
LogP4.36
Rot. Bonds3

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

1-(3-methoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene (PubChem CID 141282852) has the molecular formula C13H15F3OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 1-(3-methoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-methoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene
PubChem CID141282852
Molecular FormulaC13H15F3OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name1-(3-methoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene
SMILESCOC1CCC(Sc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H15F3OS/c1-17-9-6-7-10(8-9)18-12-5-3-2-4-11(12)13(14,15)16/h2-5,9-10H,6-8H2,1H3
InChIKeyNXNAFADWSCKYDY-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66465191
3-(2-Ethylphenyl)sulfanyl-1,1,1-trifluoropropan-2-one
CID 76323927
2-[2-(Trifluoromethyl)phenyl]sulfanylethanol
CID 2760767
1-(2-Propoxyethylsulfanyl)-4-(trifluoromethyl)benzene
CID 23560315
1-[3-(Trifluoromethyl)phenyl]sulfanylpentan-2-ol
CID 54089717
1,1,1-Trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 63900018
(1R,2S,4S)-2-methoxy-4-[2-(trifluoromethyl)phenyl]sulfanylcyclopentane-1-carbonitrile
CID 66918822
4-[3-[2-(Trifluoromethyl)phenyl]sulfonylcyclopentyl]oxythiane 1,1-dioxide
CID 90938215
1-(3-Cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene
CID 91115809
2-Methyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane
CID 118445050
2-[4-(Trifluoromethyl)phenyl]sulfanyloxolane
CID 121222703
(E)-6-[2-(trifluoromethyl)phenyl]sulfanylhex-4-en-2-one
CID 124035168

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-methoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene (CID 141282852) is 1-(3-methoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-methoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-methoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene is COC1CCC(Sc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-(3-methoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene?
The InChIKey is NXNAFADWSCKYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3OS/c1-17-9-6-7-10(8-9)18-12-5-3-2-4-11(12)13(14,15)16/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 1-(3-methoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene?
1-(3-methoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene has a molecular weight of 276.32 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 141282852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).