N-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide

C11H17ClFNO — CID 131123605

IUPACN-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NC2CCCCC2Cl)CC1F
InChIInChI=1S/C11H17ClFNO/c1-11(6-9(11)13)10(15)14-8-5-3-2-4-7(8)12/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyYAKCDSYKZMNHFR-UHFFFAOYSA-N
MW233.71 g/mol
LogP2.40
Rot. Bonds2

About N-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide

N-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide (PubChem CID 131123605) has the molecular formula C11H17ClFNO and a molecular weight of 233.71 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide
PubChem CID131123605
Molecular FormulaC11H17ClFNO
Molecular Weight233.71 g/mol
Exact Mass233.10
IUPAC NameN-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NC2CCCCC2Cl)CC1F
InChIInChI=1S/C11H17ClFNO/c1-11(6-9(11)13)10(15)14-8-5-3-2-4-7(8)12/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyYAKCDSYKZMNHFR-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.71
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide (CID 131123605) is N-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NC2CCCCC2Cl)CC1F.
What is the InChIKey of N-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The InChIKey is YAKCDSYKZMNHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFNO/c1-11(6-9(11)13)10(15)14-8-5-3-2-4-7(8)12/h7-9H,2-6H2,1H3,(H,14,15).
What are the key properties of N-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
N-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide has a molecular weight of 233.71 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 131123605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).