2-[1-(2-aminopropan-2-yl)-4-(trifluoromethyl)cyclohexyl]ethanol

C12H22F3NO — CID 66089808

IUPAC2-[1-(2-aminopropan-2-yl)-4-(trifluoromethyl)cyclohexyl]ethanol
SMILESCC(C)(N)C1(CCO)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-10(2,16)11(7-8-17)5-3-9(4-6-11)12(13,14)15/h9,17H,3-8,16H2,1-2H3
InChIKeyPALUXGOVZFBWDS-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.85
Rot. Bonds3

About 2-[1-(2-aminopropan-2-yl)-4-(trifluoromethyl)cyclohexyl]ethanol

2-[1-(2-aminopropan-2-yl)-4-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 66089808) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[1-(2-aminopropan-2-yl)-4-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[1-(2-aminopropan-2-yl)-4-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID66089808
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-[1-(2-aminopropan-2-yl)-4-(trifluoromethyl)cyclohexyl]ethanol
SMILESCC(C)(N)C1(CCO)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-10(2,16)11(7-8-17)5-3-9(4-6-11)12(13,14)15/h9,17H,3-8,16H2,1-2H3
InChIKeyPALUXGOVZFBWDS-UHFFFAOYSA-N
XLogP2.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminopropan-2-yl)-4-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-[1-(2-aminopropan-2-yl)-4-(trifluoromethyl)cyclohexyl]ethanol (CID 66089808) is 2-[1-(2-aminopropan-2-yl)-4-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-[1-(2-aminopropan-2-yl)-4-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-[1-(2-aminopropan-2-yl)-4-(trifluoromethyl)cyclohexyl]ethanol is CC(C)(N)C1(CCO)CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[1-(2-aminopropan-2-yl)-4-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is PALUXGOVZFBWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(2,16)11(7-8-17)5-3-9(4-6-11)12(13,14)15/h9,17H,3-8,16H2,1-2H3.
What are the key properties of 2-[1-(2-aminopropan-2-yl)-4-(trifluoromethyl)cyclohexyl]ethanol?
2-[1-(2-aminopropan-2-yl)-4-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 253.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminopropan-2-yl)-4-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 66089808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).