N-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide

C10H16FNO — CID 130611470

IUPACN-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide
SMILESCC(CF)NC(=O)C1CC=CCC1
InChIInChI=1S/C10H16FNO/c1-8(7-11)12-10(13)9-5-3-2-4-6-9/h2-3,8-9H,4-7H2,1H3,(H,12,13)
InChIKeyJRSCYAQHKHFPSI-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.82
Rot. Bonds3

About N-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide

N-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 130611470) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide
PubChem CID130611470
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC NameN-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide
SMILESCC(CF)NC(=O)C1CC=CCC1
InChIInChI=1S/C10H16FNO/c1-8(7-11)12-10(13)9-5-3-2-4-6-9/h2-3,8-9H,4-7H2,1H3,(H,12,13)
InChIKeyJRSCYAQHKHFPSI-UHFFFAOYSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide (CID 130611470) is N-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide is CC(CF)NC(=O)C1CC=CCC1.
What is the InChIKey of N-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is JRSCYAQHKHFPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-8(7-11)12-10(13)9-5-3-2-4-6-9/h2-3,8-9H,4-7H2,1H3,(H,12,13).
What are the key properties of N-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide?
N-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 185.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 130611470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).