2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide

C10H17F3N2O2 — CID 107221986

IUPAC2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide
SMILESCC(N)(C(=O)N[C@@H]1CCCC[C@H]1O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-9(14,10(11,12)13)8(17)15-6-4-2-3-5-7(6)16/h6-7,16H,2-5,14H2,1H3,(H,15,17)/t6-,7-,9?/m1/s1
InChIKeyAYVMDNLLNUHWDX-UMPGHQJDSA-N
MW254.25 g/mol
LogP0.69
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide (PubChem CID 107221986) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide
PubChem CID107221986
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide
SMILESCC(N)(C(=O)N[C@@H]1CCCC[C@H]1O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-9(14,10(11,12)13)8(17)15-6-4-2-3-5-7(6)16/h6-7,16H,2-5,14H2,1H3,(H,15,17)/t6-,7-,9?/m1/s1
InChIKeyAYVMDNLLNUHWDX-UMPGHQJDSA-N
XLogP0.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide (CID 107221986) is 2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide is CC(N)(C(=O)N[C@@H]1CCCC[C@H]1O)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide?
The InChIKey is AYVMDNLLNUHWDX-UMPGHQJDSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-9(14,10(11,12)13)8(17)15-6-4-2-3-5-7(6)16/h6-7,16H,2-5,14H2,1H3,(H,15,17)/t6-,7-,9?/m1/s1.
What are the key properties of 2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide has a molecular weight of 254.25 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide is sourced from PubChem (CID 107221986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).