N-ethyl-2-fluorocyclohexene-1-carboxamide

C9H14FNO — CID 67765163

IUPACN-ethyl-2-fluorocyclohexene-1-carboxamide
SMILESCCNC(=O)C1=C(F)CCCC1
InChIInChI=1S/C9H14FNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h2-6H2,1H3,(H,11,12)
InChIKeyZRJWVACRBROBSE-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.92
Rot. Bonds2

About N-ethyl-2-fluorocyclohexene-1-carboxamide

N-ethyl-2-fluorocyclohexene-1-carboxamide (PubChem CID 67765163) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is N-ethyl-2-fluorocyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-fluorocyclohexene-1-carboxamide
PubChem CID67765163
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC NameN-ethyl-2-fluorocyclohexene-1-carboxamide
SMILESCCNC(=O)C1=C(F)CCCC1
InChIInChI=1S/C9H14FNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h2-6H2,1H3,(H,11,12)
InChIKeyZRJWVACRBROBSE-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluorocyclohexene-1-carboxamide?
The IUPAC name of N-ethyl-2-fluorocyclohexene-1-carboxamide (CID 67765163) is N-ethyl-2-fluorocyclohexene-1-carboxamide.
What is the SMILES notation for N-ethyl-2-fluorocyclohexene-1-carboxamide?
The canonical SMILES for N-ethyl-2-fluorocyclohexene-1-carboxamide is CCNC(=O)C1=C(F)CCCC1.
What is the InChIKey of N-ethyl-2-fluorocyclohexene-1-carboxamide?
The InChIKey is ZRJWVACRBROBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h2-6H2,1H3,(H,11,12).
What are the key properties of N-ethyl-2-fluorocyclohexene-1-carboxamide?
N-ethyl-2-fluorocyclohexene-1-carboxamide has a molecular weight of 171.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluorocyclohexene-1-carboxamide is sourced from PubChem (CID 67765163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).