N-ethyl-1-fluoro-4-methylpentan-2-amine

C8H18FN — CID 112708645

IUPACN-ethyl-1-fluoro-4-methylpentan-2-amine
SMILESCCNC(CF)CC(C)C
InChIInChI=1S/C8H18FN/c1-4-10-8(6-9)5-7(2)3/h7-8,10H,4-6H2,1-3H3
InChIKeyQWHLHDJPMFMUSR-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.98
Rot. Bonds5

About N-ethyl-1-fluoro-4-methylpentan-2-amine

N-ethyl-1-fluoro-4-methylpentan-2-amine (PubChem CID 112708645) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is N-ethyl-1-fluoro-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-fluoro-4-methylpentan-2-amine
PubChem CID112708645
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC NameN-ethyl-1-fluoro-4-methylpentan-2-amine
SMILESCCNC(CF)CC(C)C
InChIInChI=1S/C8H18FN/c1-4-10-8(6-9)5-7(2)3/h7-8,10H,4-6H2,1-3H3
InChIKeyQWHLHDJPMFMUSR-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-ethyl-1-fluoro-4-methylpentan-2-amine?
The IUPAC name of N-ethyl-1-fluoro-4-methylpentan-2-amine (CID 112708645) is N-ethyl-1-fluoro-4-methylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-fluoro-4-methylpentan-2-amine?
The canonical SMILES for N-ethyl-1-fluoro-4-methylpentan-2-amine is CCNC(CF)CC(C)C.
What is the InChIKey of N-ethyl-1-fluoro-4-methylpentan-2-amine?
The InChIKey is QWHLHDJPMFMUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-4-10-8(6-9)5-7(2)3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-fluoro-4-methylpentan-2-amine?
N-ethyl-1-fluoro-4-methylpentan-2-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-ethyl-1-fluoro-4-methylpentan-2-amine is sourced from PubChem (CID 112708645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).