N-tert-butyl-2-fluorocyclohexene-1-carboxamide

C11H18FNO — CID 59860482

IUPACN-tert-butyl-2-fluorocyclohexene-1-carboxamide
SMILESCC(C)(C)NC(=O)C1=C(F)CCCC1
InChIInChI=1S/C11H18FNO/c1-11(2,3)13-10(14)8-6-4-5-7-9(8)12/h4-7H2,1-3H3,(H,13,14)
InChIKeyKYRJBHBVIDETES-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.70
Rot. Bonds1

About N-tert-butyl-2-fluorocyclohexene-1-carboxamide

N-tert-butyl-2-fluorocyclohexene-1-carboxamide (PubChem CID 59860482) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is N-tert-butyl-2-fluorocyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-fluorocyclohexene-1-carboxamide
PubChem CID59860482
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC NameN-tert-butyl-2-fluorocyclohexene-1-carboxamide
SMILESCC(C)(C)NC(=O)C1=C(F)CCCC1
InChIInChI=1S/C11H18FNO/c1-11(2,3)13-10(14)8-6-4-5-7-9(8)12/h4-7H2,1-3H3,(H,13,14)
InChIKeyKYRJBHBVIDETES-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-fluorocyclohexene-1-carboxamide?
The IUPAC name of N-tert-butyl-2-fluorocyclohexene-1-carboxamide (CID 59860482) is N-tert-butyl-2-fluorocyclohexene-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2-fluorocyclohexene-1-carboxamide?
The canonical SMILES for N-tert-butyl-2-fluorocyclohexene-1-carboxamide is CC(C)(C)NC(=O)C1=C(F)CCCC1.
What is the InChIKey of N-tert-butyl-2-fluorocyclohexene-1-carboxamide?
The InChIKey is KYRJBHBVIDETES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-11(2,3)13-10(14)8-6-4-5-7-9(8)12/h4-7H2,1-3H3,(H,13,14).
What are the key properties of N-tert-butyl-2-fluorocyclohexene-1-carboxamide?
N-tert-butyl-2-fluorocyclohexene-1-carboxamide has a molecular weight of 199.27 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-fluorocyclohexene-1-carboxamide is sourced from PubChem (CID 59860482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).