N-(2,2-difluoroethyl)cyclohexene-1-carboxamide

C9H13F2NO — CID 130620118

IUPACN-(2,2-difluoroethyl)cyclohexene-1-carboxamide
SMILESO=C(NCC(F)F)C1=CCCCC1
InChIInChI=1S/C9H13F2NO/c10-8(11)6-12-9(13)7-4-2-1-3-5-7/h4,8H,1-3,5-6H2,(H,12,13)
InChIKeyKSZRKVMDHRHUDM-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.87
Rot. Bonds3

About N-(2,2-difluoroethyl)cyclohexene-1-carboxamide

N-(2,2-difluoroethyl)cyclohexene-1-carboxamide (PubChem CID 130620118) has the molecular formula C9H13F2NO and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)cyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)cyclohexene-1-carboxamide
PubChem CID130620118
Molecular FormulaC9H13F2NO
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC NameN-(2,2-difluoroethyl)cyclohexene-1-carboxamide
SMILESO=C(NCC(F)F)C1=CCCCC1
InChIInChI=1S/C9H13F2NO/c10-8(11)6-12-9(13)7-4-2-1-3-5-7/h4,8H,1-3,5-6H2,(H,12,13)
InChIKeyKSZRKVMDHRHUDM-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)cyclohexene-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)cyclohexene-1-carboxamide (CID 130620118) is N-(2,2-difluoroethyl)cyclohexene-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)cyclohexene-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)cyclohexene-1-carboxamide is O=C(NCC(F)F)C1=CCCCC1.
What is the InChIKey of N-(2,2-difluoroethyl)cyclohexene-1-carboxamide?
The InChIKey is KSZRKVMDHRHUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c10-8(11)6-12-9(13)7-4-2-1-3-5-7/h4,8H,1-3,5-6H2,(H,12,13).
What are the key properties of N-(2,2-difluoroethyl)cyclohexene-1-carboxamide?
N-(2,2-difluoroethyl)cyclohexene-1-carboxamide has a molecular weight of 189.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)cyclohexene-1-carboxamide is sourced from PubChem (CID 130620118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).