N-(2-fluoroethyl)-2-methylpentan-3-amine

C8H18FN — CID 80696139

IUPACN-(2-fluoroethyl)-2-methylpentan-3-amine
SMILESCCC(NCCF)C(C)C
InChIInChI=1S/C8H18FN/c1-4-8(7(2)3)10-6-5-9/h7-8,10H,4-6H2,1-3H3
InChIKeyPFPJYBNGPLMYES-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.98
Rot. Bonds5

About N-(2-fluoroethyl)-2-methylpentan-3-amine

N-(2-fluoroethyl)-2-methylpentan-3-amine (PubChem CID 80696139) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-methylpentan-3-amine
PubChem CID80696139
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC NameN-(2-fluoroethyl)-2-methylpentan-3-amine
SMILESCCC(NCCF)C(C)C
InChIInChI=1S/C8H18FN/c1-4-8(7(2)3)10-6-5-9/h7-8,10H,4-6H2,1-3H3
InChIKeyPFPJYBNGPLMYES-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-methylpentan-3-amine?
The IUPAC name of N-(2-fluoroethyl)-2-methylpentan-3-amine (CID 80696139) is N-(2-fluoroethyl)-2-methylpentan-3-amine.
What is the SMILES notation for N-(2-fluoroethyl)-2-methylpentan-3-amine?
The canonical SMILES for N-(2-fluoroethyl)-2-methylpentan-3-amine is CCC(NCCF)C(C)C.
What is the InChIKey of N-(2-fluoroethyl)-2-methylpentan-3-amine?
The InChIKey is PFPJYBNGPLMYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-4-8(7(2)3)10-6-5-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-(2-fluoroethyl)-2-methylpentan-3-amine?
N-(2-fluoroethyl)-2-methylpentan-3-amine has a molecular weight of 147.24 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-methylpentan-3-amine is sourced from PubChem (CID 80696139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).