N-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide

C14H19F2NO — CID 171777754

IUPACN-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESC[C@@H](NC(=O)CC1CC(F)(F)C1)C1=CC=CCC1
InChIInChI=1S/C14H19F2NO/c1-10(12-5-3-2-4-6-12)17-13(18)7-11-8-14(15,16)9-11/h2-3,5,10-11H,4,6-9H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyZFQARYISGKBWLR-SNVBAGLBSA-N
MW255.31 g/mol
LogP3.20
Rot. Bonds4

About N-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide

N-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 171777754) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID171777754
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESC[C@@H](NC(=O)CC1CC(F)(F)C1)C1=CC=CCC1
InChIInChI=1S/C14H19F2NO/c1-10(12-5-3-2-4-6-12)17-13(18)7-11-8-14(15,16)9-11/h2-3,5,10-11H,4,6-9H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyZFQARYISGKBWLR-SNVBAGLBSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide
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N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide
CID 70261540
4-amino-N-[3,5-difluoro-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohex-2-ene-1-carboxamide
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5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide
CID 70892604
4-amino-N-(3,5-difluoro-4-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-ene-1-carboxamide
CID 70974405
2-(3-aminopropyl)-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pent-4-enamide
CID 89073749
(4R)-4-amino-N-[(2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4,6-trienyl]cyclohex-2-ene-1-carboxamide
CID 89214781
N-[4,6-dimethyl-3,5-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-2,2,2-trifluoroacetamide
CID 90693715
2-butan-2-yl-5-(2-cyclopropylethynyl)-N-(3,3-difluorocyclobutyl)hepta-2,4,6-trienamide
CID 123151688
N-(2,2-difluoropentyl)-6-ethyl-3-ethylidene-4-[5-(3-methylidenecyclobutyl)penta-1,3-dienylidene]cyclohexa-1,5-diene-1-carboxamide
CID 123498510
2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide (CID 171777754) is N-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide is C[C@@H](NC(=O)CC1CC(F)(F)C1)C1=CC=CCC1.
What is the InChIKey of N-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is ZFQARYISGKBWLR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10(12-5-3-2-4-6-12)17-13(18)7-11-8-14(15,16)9-11/h2-3,5,10-11H,4,6-9H2,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide?
N-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 255.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 171777754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).