N,N-diethyl-3-fluorobutan-2-amine

C8H18FN — CID 89130179

IUPACN,N-diethyl-3-fluorobutan-2-amine
SMILESCCN(CC)C(C)C(C)F
InChIInChI=1S/C8H18FN/c1-5-10(6-2)8(4)7(3)9/h7-8H,5-6H2,1-4H3
InChIKeyKYUKQZPXFRRYEO-UHFFFAOYSA-N
MW147.24 g/mol
LogP2.07
Rot. Bonds4

About N,N-diethyl-3-fluorobutan-2-amine

N,N-diethyl-3-fluorobutan-2-amine (PubChem CID 89130179) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is N,N-diethyl-3-fluorobutan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3-fluorobutan-2-amine
PubChem CID89130179
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC NameN,N-diethyl-3-fluorobutan-2-amine
SMILESCCN(CC)C(C)C(C)F
InChIInChI=1S/C8H18FN/c1-5-10(6-2)8(4)7(3)9/h7-8H,5-6H2,1-4H3
InChIKeyKYUKQZPXFRRYEO-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-fluorobutan-2-amine?
The IUPAC name of N,N-diethyl-3-fluorobutan-2-amine (CID 89130179) is N,N-diethyl-3-fluorobutan-2-amine.
What is the SMILES notation for N,N-diethyl-3-fluorobutan-2-amine?
The canonical SMILES for N,N-diethyl-3-fluorobutan-2-amine is CCN(CC)C(C)C(C)F.
What is the InChIKey of N,N-diethyl-3-fluorobutan-2-amine?
The InChIKey is KYUKQZPXFRRYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-5-10(6-2)8(4)7(3)9/h7-8H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-3-fluorobutan-2-amine?
N,N-diethyl-3-fluorobutan-2-amine has a molecular weight of 147.24 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-fluorobutan-2-amine is sourced from PubChem (CID 89130179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).