[1-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol

C9H16F3NOS — CID 116615534

IUPAC[1-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol
SMILESOCC1(NCCSC(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NOS/c10-9(11,12)15-6-5-13-8(7-14)3-1-2-4-8/h13-14H,1-7H2
InChIKeyPTGBMCMZWOVKOD-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.13
Rot. Bonds5

About [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol

[1-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol (PubChem CID 116615534) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol
PubChem CID116615534
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name[1-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol
SMILESOCC1(NCCSC(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NOS/c10-9(11,12)15-6-5-13-8(7-14)3-1-2-4-8/h13-14H,1-7H2
InChIKeyPTGBMCMZWOVKOD-UHFFFAOYSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,2,2-Trifluoroethylamino)cyclopentyl]methanol
CID 61045463
[1-(2,2-Difluoroethylamino)cyclopentyl]methanol
CID 62519180
[1-(3,3,3-Trifluoropropylamino)cyclopentyl]methanol
CID 64555017
[2-Methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol
CID 65049724
[2-Methyl-3-(2,2,2-trifluoroethylamino)thian-3-yl]methanol
CID 79951376
[1-(2-Fluoroethylamino)cyclopentyl]methanol
CID 80694042
[1-(3-Fluoropropylamino)cyclopentyl]methanol
CID 81106336
3-[[2-(Trifluoromethylsulfanyl)ethylamino]methyl]hexan-1-ol
CID 106115491
[2-[2-(Trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol
CID 106361013
[1-(4,4,4-Trifluorobutan-2-ylamino)cyclopentyl]methanol
CID 109991271
[1-(5,5,5-Trifluoropentylamino)cyclopentyl]methanol
CID 112413579
1-Cyclopentyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol
CID 114187721

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol?
The IUPAC name of [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol (CID 116615534) is [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol is OCC1(NCCSC(F)(F)F)CCCC1.
What is the InChIKey of [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol?
The InChIKey is PTGBMCMZWOVKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c10-9(11,12)15-6-5-13-8(7-14)3-1-2-4-8/h13-14H,1-7H2.
What are the key properties of [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol?
[1-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol has a molecular weight of 243.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethylsulfanyl)ethylamino]cyclopentyl]methanol is sourced from PubChem (CID 116615534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).