N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide

C13H21F2NO3 — CID 103860197

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESCC1(C)OCC(CNC(=O)C2CCC(F)(F)CC2)O1
InChIInChI=1S/C13H21F2NO3/c1-12(2)18-8-10(19-12)7-16-11(17)9-3-5-13(14,15)6-4-9/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyGZNYWNIVBWIVNL-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.08
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 103860197) has the molecular formula C13H21F2NO3 and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
PubChem CID103860197
Molecular FormulaC13H21F2NO3
Molecular Weight277.31 g/mol
Exact Mass277.15
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESCC1(C)OCC(CNC(=O)C2CCC(F)(F)CC2)O1
InChIInChI=1S/C13H21F2NO3/c1-12(2)18-8-10(19-12)7-16-11(17)9-3-5-13(14,15)6-4-9/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyGZNYWNIVBWIVNL-UHFFFAOYSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide (CID 103860197) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide is CC1(C)OCC(CNC(=O)C2CCC(F)(F)CC2)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is GZNYWNIVBWIVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO3/c1-12(2)18-8-10(19-12)7-16-11(17)9-3-5-13(14,15)6-4-9/h9-10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 277.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 103860197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).