4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide

C13H23F3N2O — CID 116534518

IUPAC4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide
SMILESCC(CCCC(F)(F)F)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C13H23F3N2O/c1-9(3-2-8-13(14,15)16)18-11-6-4-10(5-7-11)12(17)19/h9-11,18H,2-8H2,1H3,(H2,17,19)
InChIKeyDRQNEXHXBAKXAA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.74
Rot. Bonds6

About 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide

4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 116534518) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide
PubChem CID116534518
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide
SMILESCC(CCCC(F)(F)F)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C13H23F3N2O/c1-9(3-2-8-13(14,15)16)18-11-6-4-10(5-7-11)12(17)19/h9-11,18H,2-8H2,1H3,(H2,17,19)
InChIKeyDRQNEXHXBAKXAA-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide (CID 116534518) is 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide is CC(CCCC(F)(F)F)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is DRQNEXHXBAKXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-9(3-2-8-13(14,15)16)18-11-6-4-10(5-7-11)12(17)19/h9-11,18H,2-8H2,1H3,(H2,17,19).
What are the key properties of 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide?
4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6,6-trifluorohexan-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 116534518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).