N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C10H14F6N2O — CID 103310467

IUPACN-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O/c11-9(12,13)7(10(14,15)16)8(19)18-6-4-2-1-3-5(6)17/h5-7H,1-4,17H2,(H,18,19)/t5-,6-/m1/s1
InChIKeyKEOPXPLDHQSBQE-PHDIDXHHSA-N
MW292.22 g/mol
LogP2.11
Rot. Bonds2

About N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103310467) has the molecular formula C10H14F6N2O and a molecular weight of 292.22 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103310467
Molecular FormulaC10H14F6N2O
Molecular Weight292.22 g/mol
Exact Mass292.10
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O/c11-9(12,13)7(10(14,15)16)8(19)18-6-4-2-1-3-5(6)17/h5-7H,1-4,17H2,(H,18,19)/t5-,6-/m1/s1
InChIKeyKEOPXPLDHQSBQE-PHDIDXHHSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103310467) is N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is N[C@@H]1CCCC[C@H]1NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is KEOPXPLDHQSBQE-PHDIDXHHSA-N. The full InChI is InChI=1S/C10H14F6N2O/c11-9(12,13)7(10(14,15)16)8(19)18-6-4-2-1-3-5(6)17/h5-7H,1-4,17H2,(H,18,19)/t5-,6-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 292.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).