[2-methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol

C9H16F3NO3S — CID 65049724

IUPAC[2-methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol
SMILESCS(=O)(=O)C1CCCC1(CO)NCC(F)(F)F
InChIInChI=1S/C9H16F3NO3S/c1-17(15,16)7-3-2-4-8(7,6-14)13-5-9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyCIDJFHZYKDUCPI-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.47
Rot. Bonds4

About [2-methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol

[2-methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol (PubChem CID 65049724) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is [2-methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol
PubChem CID65049724
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC Name[2-methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol
SMILESCS(=O)(=O)C1CCCC1(CO)NCC(F)(F)F
InChIInChI=1S/C9H16F3NO3S/c1-17(15,16)7-3-2-4-8(7,6-14)13-5-9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyCIDJFHZYKDUCPI-UHFFFAOYSA-N
XLogP0.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol?
The IUPAC name of [2-methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol (CID 65049724) is [2-methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol?
The canonical SMILES for [2-methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol is CS(=O)(=O)C1CCCC1(CO)NCC(F)(F)F.
What is the InChIKey of [2-methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol?
The InChIKey is CIDJFHZYKDUCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c1-17(15,16)7-3-2-4-8(7,6-14)13-5-9(10,11)12/h7,13-14H,2-6H2,1H3.
What are the key properties of [2-methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol?
[2-methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol has a molecular weight of 275.29 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfonyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol is sourced from PubChem (CID 65049724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).