2,2-diethyl-1-fluorobutan-1-amine

C8H18FN — CID 175214831

IUPAC2,2-diethyl-1-fluorobutan-1-amine
SMILESCCC(CC)(CC)C(N)F
InChIInChI=1S/C8H18FN/c1-4-8(5-2,6-3)7(9)10/h7H,4-6,10H2,1-3H3
InChIKeyNTCZJUVRCIJBEL-UHFFFAOYSA-N
MW147.24 g/mol
LogP2.46
Rot. Bonds4

About 2,2-diethyl-1-fluorobutan-1-amine

2,2-diethyl-1-fluorobutan-1-amine (PubChem CID 175214831) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is 2,2-diethyl-1-fluorobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-1-fluorobutan-1-amine
PubChem CID175214831
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC Name2,2-diethyl-1-fluorobutan-1-amine
SMILESCCC(CC)(CC)C(N)F
InChIInChI=1S/C8H18FN/c1-4-8(5-2,6-3)7(9)10/h7H,4-6,10H2,1-3H3
InChIKeyNTCZJUVRCIJBEL-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1-fluorobutan-1-amine?
The IUPAC name of 2,2-diethyl-1-fluorobutan-1-amine (CID 175214831) is 2,2-diethyl-1-fluorobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-1-fluorobutan-1-amine?
The canonical SMILES for 2,2-diethyl-1-fluorobutan-1-amine is CCC(CC)(CC)C(N)F.
What is the InChIKey of 2,2-diethyl-1-fluorobutan-1-amine?
The InChIKey is NTCZJUVRCIJBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-4-8(5-2,6-3)7(9)10/h7H,4-6,10H2,1-3H3.
What are the key properties of 2,2-diethyl-1-fluorobutan-1-amine?
2,2-diethyl-1-fluorobutan-1-amine has a molecular weight of 147.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-fluorobutan-1-amine is sourced from PubChem (CID 175214831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).