2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide

C13H22FNO — CID 157204878

IUPAC2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide
SMILESCCCC(CC)C(=O)NC1CCCC=C1F
InChIInChI=1S/C13H22FNO/c1-3-7-10(4-2)13(16)15-12-9-6-5-8-11(12)14/h8,10,12H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyARFSMBAKMBGJJV-UHFFFAOYSA-N
MW227.32 g/mol
LogP3.33
Rot. Bonds5

About 2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide

2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide (PubChem CID 157204878) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is 2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide.

Molecular Properties

Compound Name2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide
PubChem CID157204878
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide
SMILESCCCC(CC)C(=O)NC1CCCC=C1F
InChIInChI=1S/C13H22FNO/c1-3-7-10(4-2)13(16)15-12-9-6-5-8-11(12)14/h8,10,12H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyARFSMBAKMBGJJV-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylarachidonoyl-(2'-fluoroethyl)amide
CID 5283437
N-isopropyl alpha-methylarachidonoyl amine
CID 5283418
(+/-)N-(2-fluro-ethyl)-2,17-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283442
(+/-)N-(2-fluro-ethyl)-2-methyl-5Z,8Z,11Z,14Z-tricosatetraenoyl amine
CID 5283443
(4S,5R)-4-methyl-5-(3-methylbut-2-enyl)pyrrolidin-2-one
CID 134969458
N-cyclohexyl-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 39969360
(1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide
CID 51926176
N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraenamide
CID 3318
N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide
CID 70261540
4-amino-6-fluoro-N-methyl-N-propylcyclohex-3-ene-1-carboxamide
CID 70858773
5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide
CID 70892604
4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide
CID 70974417

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide?
The IUPAC name of 2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide (CID 157204878) is 2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide.
What is the SMILES notation for 2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide?
The canonical SMILES for 2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide is CCCC(CC)C(=O)NC1CCCC=C1F.
What is the InChIKey of 2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide?
The InChIKey is ARFSMBAKMBGJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO/c1-3-7-10(4-2)13(16)15-12-9-6-5-8-11(12)14/h8,10,12H,3-7,9H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide?
2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide has a molecular weight of 227.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide is sourced from PubChem (CID 157204878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).