[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol

C12H22F3NO — CID 62271111

IUPAC[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol
SMILESCC(C)N(CC(F)(F)F)CC1(CO)CCCC1
InChIInChI=1S/C12H22F3NO/c1-10(2)16(8-12(13,14)15)7-11(9-17)5-3-4-6-11/h10,17H,3-9H2,1-2H3
InChIKeyTURDLNCTTXIXBL-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.81
Rot. Bonds5

About [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol

[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol (PubChem CID 62271111) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol
PubChem CID62271111
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol
SMILESCC(C)N(CC(F)(F)F)CC1(CO)CCCC1
InChIInChI=1S/C12H22F3NO/c1-10(2)16(8-12(13,14)15)7-11(9-17)5-3-4-6-11/h10,17H,3-9H2,1-2H3
InChIKeyTURDLNCTTXIXBL-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol (CID 62271111) is [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol is CC(C)N(CC(F)(F)F)CC1(CO)CCCC1.
What is the InChIKey of [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol?
The InChIKey is TURDLNCTTXIXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(2)16(8-12(13,14)15)7-11(9-17)5-3-4-6-11/h10,17H,3-9H2,1-2H3.
What are the key properties of [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol?
[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol has a molecular weight of 253.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 62271111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).