4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide

C13H24F2N2O2 — CID 106176981

IUPAC4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCC(F)(F)CO)C1(C)C
InChIInChI=1S/C13H24F2N2O2/c1-8-10(16)5-4-9(12(8,2)3)11(19)17-6-13(14,15)7-18/h8-10,18H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyGIVZMVURPODWJH-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.13
Rot. Bonds4

About 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 106176981) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID106176981
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Name4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCC(F)(F)CO)C1(C)C
InChIInChI=1S/C13H24F2N2O2/c1-8-10(16)5-4-9(12(8,2)3)11(19)17-6-13(14,15)7-18/h8-10,18H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyGIVZMVURPODWJH-UHFFFAOYSA-N
XLogP1.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 106176981) is 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)NCC(F)(F)CO)C1(C)C.
What is the InChIKey of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is GIVZMVURPODWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-8-10(16)5-4-9(12(8,2)3)11(19)17-6-13(14,15)7-18/h8-10,18H,4-7,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 106176981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).