N-(2-fluorocyclopropyl)-4-propan-2-ylcyclohexane-1-carboxamide

C13H22FNO — CID 129154766

IUPACN-(2-fluorocyclopropyl)-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)NC2CC2F)CC1
InChIInChI=1S/C13H22FNO/c1-8(2)9-3-5-10(6-4-9)13(16)15-12-7-11(12)14/h8-12H,3-7H2,1-2H3,(H,15,16)
InChIKeySAROENMCIMLGBH-UHFFFAOYSA-N
MW227.32 g/mol
LogP2.68
Rot. Bonds3

About N-(2-fluorocyclopropyl)-4-propan-2-ylcyclohexane-1-carboxamide

N-(2-fluorocyclopropyl)-4-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 129154766) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is N-(2-fluorocyclopropyl)-4-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorocyclopropyl)-4-propan-2-ylcyclohexane-1-carboxamide
PubChem CID129154766
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC NameN-(2-fluorocyclopropyl)-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)NC2CC2F)CC1
InChIInChI=1S/C13H22FNO/c1-8(2)9-3-5-10(6-4-9)13(16)15-12-7-11(12)14/h8-12H,3-7H2,1-2H3,(H,15,16)
InChIKeySAROENMCIMLGBH-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.68
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-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-fluorocyclopropyl)-4-propan-2-ylcyclohexane-1-carboxamide (CID 129154766) is N-(2-fluorocyclopropyl)-4-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-fluorocyclopropyl)-4-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-fluorocyclopropyl)-4-propan-2-ylcyclohexane-1-carboxamide is CC(C)C1CCC(C(=O)NC2CC2F)CC1.
What is the InChIKey of N-(2-fluorocyclopropyl)-4-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is SAROENMCIMLGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO/c1-8(2)9-3-5-10(6-4-9)13(16)15-12-7-11(12)14/h8-12H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-(2-fluorocyclopropyl)-4-propan-2-ylcyclohexane-1-carboxamide?
N-(2-fluorocyclopropyl)-4-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 227.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorocyclopropyl)-4-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 129154766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).