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

C9H16F3NO — CID 65049674

IUPAC[2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol
SMILESCC1CCCC1(CO)NCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7-3-2-4-8(7,6-14)13-5-9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyLRNPGROFQATNEK-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.69
Rot. Bonds3

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

[2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol (PubChem CID 65049674) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is [2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol
PubChem CID65049674
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name[2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol
SMILESCC1CCCC1(CO)NCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7-3-2-4-8(7,6-14)13-5-9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyLRNPGROFQATNEK-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol?
The IUPAC name of [2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol (CID 65049674) is [2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol?
The canonical SMILES for [2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol is CC1CCCC1(CO)NCC(F)(F)F.
What is the InChIKey of [2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol?
The InChIKey is LRNPGROFQATNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7-3-2-4-8(7,6-14)13-5-9(10,11)12/h7,13-14H,2-6H2,1H3.
What are the key properties of [2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol?
[2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol has a molecular weight of 211.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol is sourced from PubChem (CID 65049674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).