N-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide

C12H20FNO — CID 167232804

IUPACN-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide
SMILESC=C(F)CC(C)NC(=O)C1CCCCC1
InChIInChI=1S/C12H20FNO/c1-9(13)8-10(2)14-12(15)11-6-4-3-5-7-11/h10-11H,1,3-8H2,2H3,(H,14,15)
InChIKeyABCRBPMTWREHDC-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.94
Rot. Bonds4

About N-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide

N-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide (PubChem CID 167232804) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is N-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide
PubChem CID167232804
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC NameN-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide
SMILESC=C(F)CC(C)NC(=O)C1CCCCC1
InChIInChI=1S/C12H20FNO/c1-9(13)8-10(2)14-12(15)11-6-4-3-5-7-11/h10-11H,1,3-8H2,2H3,(H,14,15)
InChIKeyABCRBPMTWREHDC-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide (CID 167232804) is N-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide is C=C(F)CC(C)NC(=O)C1CCCCC1.
What is the InChIKey of N-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide?
The InChIKey is ABCRBPMTWREHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO/c1-9(13)8-10(2)14-12(15)11-6-4-3-5-7-11/h10-11H,1,3-8H2,2H3,(H,14,15).
What are the key properties of N-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide?
N-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide has a molecular weight of 213.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoropent-4-en-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 167232804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).