1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol

C11H20F3NO — CID 116534784

IUPAC1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol
SMILESCC(CCCC(F)(F)F)NCC(O)C1CC1
InChIInChI=1S/C11H20F3NO/c1-8(3-2-6-11(12,13)14)15-7-10(16)9-4-5-9/h8-10,15-16H,2-7H2,1H3
InChIKeyLBYLBRRAKXYNOK-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds7

About 1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol

1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol (PubChem CID 116534784) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol
PubChem CID116534784
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol
SMILESCC(CCCC(F)(F)F)NCC(O)C1CC1
InChIInChI=1S/C11H20F3NO/c1-8(3-2-6-11(12,13)14)15-7-10(16)9-4-5-9/h8-10,15-16H,2-7H2,1H3
InChIKeyLBYLBRRAKXYNOK-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,5-trifluoro-1-(4-propan-2-ylcyclohexyl)pentan-1-ol
CID 113326892
6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine
CID 102696096
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol
CID 116534815
6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine
CID 116534627
1-cyclobutyl-5,5,5-trifluoropentan-1-ol
CID 115515676
3-[(2-cyclopropyl-2-hydroxyethyl)amino]butanenitrile
CID 63296171
6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine
CID 116534698
[1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol
CID 116534943
2-(hexan-2-ylamino)-1-(oxolan-3-yl)ethanol
CID 115890644
1-cyclopropyl-6,6,6-trifluoro-1-methoxyhexan-2-ol
CID 116712667
2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine
CID 116534156

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol (CID 116534784) is 1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol is CC(CCCC(F)(F)F)NCC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol?
The InChIKey is LBYLBRRAKXYNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(3-2-6-11(12,13)14)15-7-10(16)9-4-5-9/h8-10,15-16H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol?
1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol is sourced from PubChem (CID 116534784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).