N-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide

C11H15F2NO — CID 178011158

IUPACN-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide
SMILESC/C=C/CNC(=O)C1C2CC(F)(F)CC21
InChIInChI=1S/C11H15F2NO/c1-2-3-4-14-10(15)9-7-5-11(12,13)6-8(7)9/h2-3,7-9H,4-6H2,1H3,(H,14,15)/b3-2+
InChIKeySYIKIOKSCOJEFU-NSCUHMNNSA-N
MW215.24 g/mol
LogP1.97
Rot. Bonds3

About N-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide

N-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 178011158) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide
PubChem CID178011158
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC NameN-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide
SMILESC/C=C/CNC(=O)C1C2CC(F)(F)CC21
InChIInChI=1S/C11H15F2NO/c1-2-3-4-14-10(15)9-7-5-11(12,13)6-8(7)9/h2-3,7-9H,4-6H2,1H3,(H,14,15)/b3-2+
InChIKeySYIKIOKSCOJEFU-NSCUHMNNSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.97
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

N-(3,3,3-trifluoropropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80473946
N-(2-fluoro-3-methylbut-2-enyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 141383089
(1R,5S)-3,3-difluoro-N-propan-2-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 167135258
N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide
CID 169226618
N-[(Z)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide
CID 169226634
N-(1,4,4-trifluorobut-2-enyl)cyclohexanecarboxamide
CID 175473621
N-[(E)-but-2-enyl]-6,6-difluorospiro[2.5]octane-2-carboxamide
CID 178011082
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-prop-2-enylcyclohexane-1-carboxamide
CID 4643854
N-(2,2,2-trifluoroethyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80472369
N-prop-2-enyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932567
4,4-difluoro-N-prop-2-enylcyclohexane-1-carboxamide
CID 81932603
N-[(E)-4-aminobut-2-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104461728

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide (CID 178011158) is N-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide is C/C=C/CNC(=O)C1C2CC(F)(F)CC21.
What is the InChIKey of N-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is SYIKIOKSCOJEFU-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-2-3-4-14-10(15)9-7-5-11(12,13)6-8(7)9/h2-3,7-9H,4-6H2,1H3,(H,14,15)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide?
N-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 215.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 178011158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).