(1R)-N-(4-ethylcyclohexyl)-2-fluorocyclopropane-1-carboxamide

C12H20FNO — CID 71095247

IUPAC(1R)-N-(4-ethylcyclohexyl)-2-fluorocyclopropane-1-carboxamide
SMILESCCC1CCC(NC(=O)[C@H]2CC2F)CC1
InChIInChI=1S/C12H20FNO/c1-2-8-3-5-9(6-4-8)14-12(15)10-7-11(10)13/h8-11H,2-7H2,1H3,(H,14,15)/t8?,9?,10-,11?/m0/s1
InChIKeyVEPBLIQPLIXTQJ-MWJCJQSMSA-N
MW213.30 g/mol
LogP2.43
Rot. Bonds3

About (1R)-N-(4-ethylcyclohexyl)-2-fluorocyclopropane-1-carboxamide

(1R)-N-(4-ethylcyclohexyl)-2-fluorocyclopropane-1-carboxamide (PubChem CID 71095247) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is (1R)-N-(4-ethylcyclohexyl)-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(4-ethylcyclohexyl)-2-fluorocyclopropane-1-carboxamide
PubChem CID71095247
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name(1R)-N-(4-ethylcyclohexyl)-2-fluorocyclopropane-1-carboxamide
SMILESCCC1CCC(NC(=O)[C@H]2CC2F)CC1
InChIInChI=1S/C12H20FNO/c1-2-8-3-5-9(6-4-8)14-12(15)10-7-11(10)13/h8-11H,2-7H2,1H3,(H,14,15)/t8?,9?,10-,11?/m0/s1
InChIKeyVEPBLIQPLIXTQJ-MWJCJQSMSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(4-ethylcyclohexyl)-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-(4-ethylcyclohexyl)-2-fluorocyclopropane-1-carboxamide (CID 71095247) is (1R)-N-(4-ethylcyclohexyl)-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-(4-ethylcyclohexyl)-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-(4-ethylcyclohexyl)-2-fluorocyclopropane-1-carboxamide is CCC1CCC(NC(=O)[C@H]2CC2F)CC1.
What is the InChIKey of (1R)-N-(4-ethylcyclohexyl)-2-fluorocyclopropane-1-carboxamide?
The InChIKey is VEPBLIQPLIXTQJ-MWJCJQSMSA-N. The full InChI is InChI=1S/C12H20FNO/c1-2-8-3-5-9(6-4-8)14-12(15)10-7-11(10)13/h8-11H,2-7H2,1H3,(H,14,15)/t8?,9?,10-,11?/m0/s1.
What are the key properties of (1R)-N-(4-ethylcyclohexyl)-2-fluorocyclopropane-1-carboxamide?
(1R)-N-(4-ethylcyclohexyl)-2-fluorocyclopropane-1-carboxamide has a molecular weight of 213.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(4-ethylcyclohexyl)-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 71095247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).