[2,4,4-trimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol

C11H20F3NO — CID 106663998

IUPAC[2,4,4-trimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol
SMILESCC1CC(C)(C)CC1(CO)NCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8-4-9(2,3)5-10(8,7-16)15-6-11(12,13)14/h8,15-16H,4-7H2,1-3H3
InChIKeySONWPQWSJFEFPO-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.33
Rot. Bonds3

About [2,4,4-trimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol

[2,4,4-trimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol (PubChem CID 106663998) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is [2,4,4-trimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2,4,4-trimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol
PubChem CID106663998
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name[2,4,4-trimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol
SMILESCC1CC(C)(C)CC1(CO)NCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8-4-9(2,3)5-10(8,7-16)15-6-11(12,13)14/h8,15-16H,4-7H2,1-3H3
InChIKeySONWPQWSJFEFPO-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,4,4-trimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol?
The IUPAC name of [2,4,4-trimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol (CID 106663998) is [2,4,4-trimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol.
What is the SMILES notation for [2,4,4-trimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol?
The canonical SMILES for [2,4,4-trimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol is CC1CC(C)(C)CC1(CO)NCC(F)(F)F.
What is the InChIKey of [2,4,4-trimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol?
The InChIKey is SONWPQWSJFEFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8-4-9(2,3)5-10(8,7-16)15-6-11(12,13)14/h8,15-16H,4-7H2,1-3H3.
What are the key properties of [2,4,4-trimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol?
[2,4,4-trimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol has a molecular weight of 239.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,4-trimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol is sourced from PubChem (CID 106663998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).