[1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol

C10H18F3NO2 — CID 79640127

IUPAC[1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
SMILESCC(OC1CCCC(N)(CO)C1)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-7(10(11,12)13)16-8-3-2-4-9(14,5-8)6-15/h7-8,15H,2-6,14H2,1H3
InChIKeyZPSCFZZNLAZNOS-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.59
Rot. Bonds3

About [1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol

[1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol (PubChem CID 79640127) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is [1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
PubChem CID79640127
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name[1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
SMILESCC(OC1CCCC(N)(CO)C1)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-7(10(11,12)13)16-8-3-2-4-9(14,5-8)6-15/h7-8,15H,2-6,14H2,1H3
InChIKeyZPSCFZZNLAZNOS-UHFFFAOYSA-N
XLogP1.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The IUPAC name of [1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol (CID 79640127) is [1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol is CC(OC1CCCC(N)(CO)C1)C(F)(F)F.
What is the InChIKey of [1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The InChIKey is ZPSCFZZNLAZNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-7(10(11,12)13)16-8-3-2-4-9(14,5-8)6-15/h7-8,15H,2-6,14H2,1H3.
What are the key properties of [1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
[1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol has a molecular weight of 241.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol is sourced from PubChem (CID 79640127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).