N-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide

C12H17F2NO — CID 129349301

IUPACN-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESO=C(CC1CC(F)(F)C1)N[C@H]1C=CCCC1
InChIInChI=1S/C12H17F2NO/c13-12(14)7-9(8-12)6-11(16)15-10-4-2-1-3-5-10/h2,4,9-10H,1,3,5-8H2,(H,15,16)/t10-/m0/s1
InChIKeyCVGHFCZTZSVNIK-JTQLQIEISA-N
MW229.27 g/mol
LogP2.65
Rot. Bonds3

About N-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide

N-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 129349301) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is N-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID129349301
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC NameN-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESO=C(CC1CC(F)(F)C1)N[C@H]1C=CCCC1
InChIInChI=1S/C12H17F2NO/c13-12(14)7-9(8-12)6-11(16)15-10-4-2-1-3-5-10/h2,4,9-10H,1,3,5-8H2,(H,15,16)/t10-/m0/s1
InChIKeyCVGHFCZTZSVNIK-JTQLQIEISA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 71971167
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CID 86228367
(2R)-2-amino-N-cyclohex-2-en-1-ylpropanamide;hydrochloride
CID 130677946
2,2-dichloroethyl N-cyclohex-2-en-1-ylcarbamate
CID 86086396
1-cyclohept-2-en-1-yl-3-methylurea
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2,2,2-trichloro-N-[(1R)-cyclohept-2-en-1-yl]acetamide
CID 158442389
3-(cyclohex-2-en-1-ylamino)propanoic acid
CID 114620369
4-[(2-cyclohexylacetyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79208872
5-(cyclohex-2-en-1-ylamino)pentanamide
CID 106237404
benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate
CID 129365778
1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methoxy-2-methylpropyl)urea
CID 97076034
3-(cyclohex-2-en-1-ylcarbamoylamino)-N-phenylpropanamide
CID 71854072

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide (CID 129349301) is N-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide is O=C(CC1CC(F)(F)C1)N[C@H]1C=CCCC1.
What is the InChIKey of N-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is CVGHFCZTZSVNIK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17F2NO/c13-12(14)7-9(8-12)6-11(16)15-10-4-2-1-3-5-10/h2,4,9-10H,1,3,5-8H2,(H,15,16)/t10-/m0/s1.
What are the key properties of N-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide?
N-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 229.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 129349301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).