N-(3-fluorobutyl)-N-methylacetamide

C7H14FNO — CID 143474180

IUPACN-(3-fluorobutyl)-N-methylacetamide
SMILESCC(=O)N(C)CCC(C)F
InChIInChI=1S/C7H14FNO/c1-6(8)4-5-9(3)7(2)10/h6H,4-5H2,1-3H3
InChIKeyCGCSSBOHGSRTCM-UHFFFAOYSA-N
MW147.19 g/mol
LogP1.21
Rot. Bonds3

About N-(3-fluorobutyl)-N-methylacetamide

N-(3-fluorobutyl)-N-methylacetamide (PubChem CID 143474180) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is N-(3-fluorobutyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-fluorobutyl)-N-methylacetamide
PubChem CID143474180
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC NameN-(3-fluorobutyl)-N-methylacetamide
SMILESCC(=O)N(C)CCC(C)F
InChIInChI=1S/C7H14FNO/c1-6(8)4-5-9(3)7(2)10/h6H,4-5H2,1-3H3
InChIKeyCGCSSBOHGSRTCM-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorobutyl)-N-methylacetamide?
The IUPAC name of N-(3-fluorobutyl)-N-methylacetamide (CID 143474180) is N-(3-fluorobutyl)-N-methylacetamide.
What is the SMILES notation for N-(3-fluorobutyl)-N-methylacetamide?
The canonical SMILES for N-(3-fluorobutyl)-N-methylacetamide is CC(=O)N(C)CCC(C)F.
What is the InChIKey of N-(3-fluorobutyl)-N-methylacetamide?
The InChIKey is CGCSSBOHGSRTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-6(8)4-5-9(3)7(2)10/h6H,4-5H2,1-3H3.
What are the key properties of N-(3-fluorobutyl)-N-methylacetamide?
N-(3-fluorobutyl)-N-methylacetamide has a molecular weight of 147.19 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorobutyl)-N-methylacetamide is sourced from PubChem (CID 143474180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).