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

C14H22F3NO3 — CID 103762519

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1(C)OCC(CNC(=O)C2CCCCC2C(F)(F)F)O1
InChIInChI=1S/C14H22F3NO3/c1-13(2)20-8-9(21-13)7-18-12(19)10-5-3-4-6-11(10)14(15,16)17/h9-11H,3-8H2,1-2H3,(H,18,19)
InChIKeyMFTOISBRHVJPEQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.62
Rot. Bonds3

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 103762519) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID103762519
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1(C)OCC(CNC(=O)C2CCCCC2C(F)(F)F)O1
InChIInChI=1S/C14H22F3NO3/c1-13(2)20-8-9(21-13)7-18-12(19)10-5-3-4-6-11(10)14(15,16)17/h9-11H,3-8H2,1-2H3,(H,18,19)
InChIKeyMFTOISBRHVJPEQ-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)cyclohexanecarboxamide
CID 18583948
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4,4-difluorocyclohexane-1-carboxamide
CID 84598588
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 91662371
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 97610539
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 97610540
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103762593
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 103860197
N-(2,2-diethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622193
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106834391
N-(2-hydroxy-3-methoxypropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 112699836
N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 113433974
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide
CID 51474688

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 103762519) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is CC1(C)OCC(CNC(=O)C2CCCCC2C(F)(F)F)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is MFTOISBRHVJPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c1-13(2)20-8-9(21-13)7-18-12(19)10-5-3-4-6-11(10)14(15,16)17/h9-11H,3-8H2,1-2H3,(H,18,19).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.62, 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]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103762519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).