N-(2-fluorocyclopropyl)-4-methylcyclohexane-1-carboxamide

C11H18FNO — CID 118426690

IUPACN-(2-fluorocyclopropyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CC2F)CC1
InChIInChI=1S/C11H18FNO/c1-7-2-4-8(5-3-7)11(14)13-10-6-9(10)12/h7-10H,2-6H2,1H3,(H,13,14)
InChIKeyUUSSKTISQANYFQ-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.04
Rot. Bonds2

About N-(2-fluorocyclopropyl)-4-methylcyclohexane-1-carboxamide

N-(2-fluorocyclopropyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 118426690) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is N-(2-fluorocyclopropyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorocyclopropyl)-4-methylcyclohexane-1-carboxamide
PubChem CID118426690
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC NameN-(2-fluorocyclopropyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CC2F)CC1
InChIInChI=1S/C11H18FNO/c1-7-2-4-8(5-3-7)11(14)13-10-6-9(10)12/h7-10H,2-6H2,1H3,(H,13,14)
InChIKeyUUSSKTISQANYFQ-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorocyclopropyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-fluorocyclopropyl)-4-methylcyclohexane-1-carboxamide (CID 118426690) is N-(2-fluorocyclopropyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-fluorocyclopropyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-fluorocyclopropyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC2CC2F)CC1.
What is the InChIKey of N-(2-fluorocyclopropyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is UUSSKTISQANYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-7-2-4-8(5-3-7)11(14)13-10-6-9(10)12/h7-10H,2-6H2,1H3,(H,13,14).
What are the key properties of N-(2-fluorocyclopropyl)-4-methylcyclohexane-1-carboxamide?
N-(2-fluorocyclopropyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 199.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorocyclopropyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 118426690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).