[(2S)-1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid

C12H21F3N2O2 — CID 67192037

IUPAC[(2S)-1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
SMILESO=C(O)N[C@H](CNCC(F)(F)F)CC1CCCCC1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)8-16-7-10(17-11(18)19)6-9-4-2-1-3-5-9/h9-10,16-17H,1-8H2,(H,18,19)/t10-/m0/s1
InChIKeyAIHSNUPWTMZTGH-JTQLQIEISA-N
MW282.31 g/mol
LogP2.74
Rot. Bonds6

About [(2S)-1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid

[(2S)-1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid (PubChem CID 67192037) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is [(2S)-1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
PubChem CID67192037
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name[(2S)-1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
SMILESO=C(O)N[C@H](CNCC(F)(F)F)CC1CCCCC1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)8-16-7-10(17-11(18)19)6-9-4-2-1-3-5-9/h9-10,16-17H,1-8H2,(H,18,19)/t10-/m0/s1
InChIKeyAIHSNUPWTMZTGH-JTQLQIEISA-N
XLogP2.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid (CID 67192037) is [(2S)-1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid is O=C(O)N[C@H](CNCC(F)(F)F)CC1CCCCC1.
What is the InChIKey of [(2S)-1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid?
The InChIKey is AIHSNUPWTMZTGH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21F3N2O2/c13-12(14,15)8-16-7-10(17-11(18)19)6-9-4-2-1-3-5-9/h9-10,16-17H,1-8H2,(H,18,19)/t10-/m0/s1.
What are the key properties of [(2S)-1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid?
[(2S)-1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid has a molecular weight of 282.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-cyclohexyl-3-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid is sourced from PubChem (CID 67192037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).