2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide

C12H18F2N2O2 — CID 154832544

IUPAC2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide
SMILESC=CC(=O)NCCNC(=O)C1CCCCC1(F)F
InChIInChI=1S/C12H18F2N2O2/c1-2-10(17)15-7-8-16-11(18)9-5-3-4-6-12(9,13)14/h2,9H,1,3-8H2,(H,15,17)(H,16,18)
InChIKeyQQLKXLZPOZEKDM-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.23
Rot. Bonds5

About 2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide

2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide (PubChem CID 154832544) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide
PubChem CID154832544
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC Name2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide
SMILESC=CC(=O)NCCNC(=O)C1CCCCC1(F)F
InChIInChI=1S/C12H18F2N2O2/c1-2-10(17)15-7-8-16-11(18)9-5-3-4-6-12(9,13)14/h2,9H,1,3-8H2,(H,15,17)(H,16,18)
InChIKeyQQLKXLZPOZEKDM-UHFFFAOYSA-N
XLogP1.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid
CID 130636476
1-(2,2-difluorocyclohexyl)ethanone
CID 131187691
6,6-difluoro-N-[2-(prop-2-enoylamino)ethyl]-2,3,4,5,7,7a-hexahydro-1H-indene-3a-carboxamide
CID 166415712
(1R)-2,2-difluorocycloheptane-1-carboxylic acid
CID 97297799
N-cyclopropyl-2,2-difluorocyclopentane-1-carboxamide
CID 131101773
N-(3-cyclohexylpropyl)prop-2-enamide
CID 59687537
N-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]prop-2-enamide
CID 166415844
N-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide
CID 131047751
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
N-(3-chloropropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179984
trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium
CID 174542522

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide (CID 154832544) is 2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide is C=CC(=O)NCCNC(=O)C1CCCCC1(F)F.
What is the InChIKey of 2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is QQLKXLZPOZEKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c1-2-10(17)15-7-8-16-11(18)9-5-3-4-6-12(9,13)14/h2,9H,1,3-8H2,(H,15,17)(H,16,18).
What are the key properties of 2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide?
2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 260.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 154832544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).