N-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide

C11H17F2NO — CID 126793893

IUPACN-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide
SMILESCC(NC(=O)C1CC=CCC1)C(C)(F)F
InChIInChI=1S/C11H17F2NO/c1-8(11(2,12)13)14-10(15)9-6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3,(H,14,15)
InChIKeyRVAVYUUDPXNMFQ-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.50
Rot. Bonds3

About N-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide

N-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 126793893) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is N-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide
PubChem CID126793893
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide
SMILESCC(NC(=O)C1CC=CCC1)C(C)(F)F
InChIInChI=1S/C11H17F2NO/c1-8(11(2,12)13)14-10(15)9-6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3,(H,14,15)
InChIKeyRVAVYUUDPXNMFQ-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide (CID 126793893) is N-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide is CC(NC(=O)C1CC=CCC1)C(C)(F)F.
What is the InChIKey of N-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is RVAVYUUDPXNMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-8(11(2,12)13)14-10(15)9-6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3,(H,14,15).
What are the key properties of N-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide?
N-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 217.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 126793893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).