3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide

C14H22F3NO2 — CID 130457162

IUPAC3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide
SMILESCCC(C)C(=O)C1(NC(=O)CC(F)(F)F)CCCCC1
InChIInChI=1S/C14H22F3NO2/c1-3-10(2)12(20)13(7-5-4-6-8-13)18-11(19)9-14(15,16)17/h10H,3-9H2,1-2H3,(H,18,19)
InChIKeyRXIBZRRGYSOHIO-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.37
Rot. Bonds5

About 3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide

3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide (PubChem CID 130457162) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide
PubChem CID130457162
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide
SMILESCCC(C)C(=O)C1(NC(=O)CC(F)(F)F)CCCCC1
InChIInChI=1S/C14H22F3NO2/c1-3-10(2)12(20)13(7-5-4-6-8-13)18-11(19)9-14(15,16)17/h10H,3-9H2,1-2H3,(H,18,19)
InChIKeyRXIBZRRGYSOHIO-UHFFFAOYSA-N
XLogP3.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[1-(2-methylbutanoyl)cyclopentyl]carbamate
CID 130410398
1-[(4,4,4-trifluoro-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 120666261
3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517846
1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 64676761
4-(3,3,3-trifluoropropanoylamino)oxane-4-carboxylic acid
CID 71222479
3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 146124342
1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid
CID 119176447
N-[1-(aminomethyl)cyclohexyl]-2-methylbutanamide
CID 63756005
1-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 113426147
1-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 61024667
1-(butan-2-ylamino)cycloheptane-1-carboxylic acid
CID 61024147
1-(butan-2-ylamino)cyclododecane-1-carboxylic acid
CID 61024396

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide (CID 130457162) is 3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide is CCC(C)C(=O)C1(NC(=O)CC(F)(F)F)CCCCC1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide?
The InChIKey is RXIBZRRGYSOHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c1-3-10(2)12(20)13(7-5-4-6-8-13)18-11(19)9-14(15,16)17/h10H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide?
3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide has a molecular weight of 293.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1-(2-methylbutanoyl)cyclohexyl]propanamide is sourced from PubChem (CID 130457162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).