N-(1-fluorooctan-3-yl)acetamide

C10H20FNO — CID 45120198

IUPACN-(1-fluorooctan-3-yl)acetamide
SMILESCCCCCC(CCF)NC(C)=O
InChIInChI=1S/C10H20FNO/c1-3-4-5-6-10(7-8-11)12-9(2)13/h10H,3-8H2,1-2H3,(H,12,13)
InChIKeyUATDQFWTDLOMGC-UHFFFAOYSA-N
MW189.27 g/mol
LogP2.43
Rot. Bonds7

About N-(1-fluorooctan-3-yl)acetamide

N-(1-fluorooctan-3-yl)acetamide (PubChem CID 45120198) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is N-(1-fluorooctan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-fluorooctan-3-yl)acetamide
PubChem CID45120198
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC NameN-(1-fluorooctan-3-yl)acetamide
SMILESCCCCCC(CCF)NC(C)=O
InChIInChI=1S/C10H20FNO/c1-3-4-5-6-10(7-8-11)12-9(2)13/h10H,3-8H2,1-2H3,(H,12,13)
InChIKeyUATDQFWTDLOMGC-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pentadecan-4-ylacetamide
CID 87419548
(3S)-3-acetamidononanoic acid
CID 2195186
tetracosan-7-ylcarbamic acid
CID 174971308
N-(1-methylsulfanylhexan-2-yl)acetamide
CID 20559067
N-[(3S)-6-aminohexan-3-yl]acetamide
CID 143107836
methyl 2-acetamidooctanoate
CID 6429509
butyl 2-acetamido-6-aminohexanoate
CID 527831
2-acetamidotetracosanoic acid
CID 13224380
tert-butyl N-decan-5-ylcarbamate
CID 174754300
2-acetamidododecyl octadec-9-enoate
CID 54534222
N-[1-[(1-sulfanyl-1,3,4-thiadiazol-1-yl)sulfanyl]octan-3-yl]acetamide
CID 141452490
N-(1,3,3,4-tetrachloropentadec-1-yn-8-yl)acetamide
CID 20847803

Frequently Asked Questions

What is the IUPAC name of N-(1-fluorooctan-3-yl)acetamide?
The IUPAC name of N-(1-fluorooctan-3-yl)acetamide (CID 45120198) is N-(1-fluorooctan-3-yl)acetamide.
What is the SMILES notation for N-(1-fluorooctan-3-yl)acetamide?
The canonical SMILES for N-(1-fluorooctan-3-yl)acetamide is CCCCCC(CCF)NC(C)=O.
What is the InChIKey of N-(1-fluorooctan-3-yl)acetamide?
The InChIKey is UATDQFWTDLOMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-3-4-5-6-10(7-8-11)12-9(2)13/h10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(1-fluorooctan-3-yl)acetamide?
N-(1-fluorooctan-3-yl)acetamide has a molecular weight of 189.27 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluorooctan-3-yl)acetamide is sourced from PubChem (CID 45120198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).