1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide

C14H21F2NO — CID 166548312

IUPAC1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)C#CC(C)(C)NC(=O)C1(C(C)(F)F)CC1
InChIInChI=1S/C14H21F2NO/c1-10(2)6-7-12(3,4)17-11(18)14(8-9-14)13(5,15)16/h10H,8-9H2,1-5H3,(H,17,18)
InChIKeyBGZHTGOODZBANM-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.98
Rot. Bonds3

About 1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide

1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide (PubChem CID 166548312) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide
PubChem CID166548312
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)C#CC(C)(C)NC(=O)C1(C(C)(F)F)CC1
InChIInChI=1S/C14H21F2NO/c1-10(2)6-7-12(3,4)17-11(18)14(8-9-14)13(5,15)16/h10H,8-9H2,1-5H3,(H,17,18)
InChIKeyBGZHTGOODZBANM-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one
CID 155710323
N-[2-methyl-4-(1-propan-2-yl-3,5-dihydro-2H-pyrido[4,3-e][1,4]oxazepin-6-yl)but-3-yn-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 167378525
4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide
CID 177032513
1-(1,1-difluoroethyl)cyclopentane-1-carboxylic acid
CID 84767538
N-(2-methylbut-3-yn-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980737
ethyl 2-hydroxy-2,5-dimethylhex-3-ynoate
CID 18672296
(2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213284
4-(1,1-difluoroethyl)piperidine-4-carboxylic acid
CID 84772593
4-(1,1-difluoroethyl)oxane-4-carboxylic acid
CID 84773053
2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide
CID 104919738
1-(aminomethyl)-N-(2-methylbut-3-yn-2-yl)cyclohexane-1-carboxamide
CID 115437898
N-(3,4-difluoro-5-propan-2-ylphenyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 171760060

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide (CID 166548312) is 1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide is CC(C)C#CC(C)(C)NC(=O)C1(C(C)(F)F)CC1.
What is the InChIKey of 1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide?
The InChIKey is BGZHTGOODZBANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-10(2)6-7-12(3,4)17-11(18)14(8-9-14)13(5,15)16/h10H,8-9H2,1-5H3,(H,17,18).
What are the key properties of 1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide?
1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 166548312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).