[4-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]amino]cyclohexyl]carbamic acid

C10H17F3N2O3 — CID 129248647

IUPAC[4-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]amino]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(N[C@H](CO)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O3/c11-10(12,13)8(5-16)14-6-1-3-7(4-2-6)15-9(17)18/h6-8,14-16H,1-5H2,(H,17,18)/t6?,7?,8-/m1/s1
InChIKeyGTCAGCZFNMUGCM-KAVNDROISA-N
MW270.25 g/mol
LogP1.08
Rot. Bonds4

About [4-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]amino]cyclohexyl]carbamic acid

[4-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]amino]cyclohexyl]carbamic acid (PubChem CID 129248647) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is [4-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]amino]cyclohexyl]carbamic acid
PubChem CID129248647
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name[4-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]amino]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(N[C@H](CO)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O3/c11-10(12,13)8(5-16)14-6-1-3-7(4-2-6)15-9(17)18/h6-8,14-16H,1-5H2,(H,17,18)/t6?,7?,8-/m1/s1
InChIKeyGTCAGCZFNMUGCM-KAVNDROISA-N
XLogP1.08
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]amino]cyclohexyl]carbamic acid (CID 129248647) is [4-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]amino]cyclohexyl]carbamic acid is O=C(O)NC1CCC(N[C@H](CO)C(F)(F)F)CC1.
What is the InChIKey of [4-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]amino]cyclohexyl]carbamic acid?
The InChIKey is GTCAGCZFNMUGCM-KAVNDROISA-N. The full InChI is InChI=1S/C10H17F3N2O3/c11-10(12,13)8(5-16)14-6-1-3-7(4-2-6)15-9(17)18/h6-8,14-16H,1-5H2,(H,17,18)/t6?,7?,8-/m1/s1.
What are the key properties of [4-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]amino]cyclohexyl]carbamic acid?
[4-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]amino]cyclohexyl]carbamic acid has a molecular weight of 270.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 129248647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).