N-ethyl-3-fluoro-N-propan-2-ylpropan-1-amine

C8H18FN — CID 130890265

IUPACN-ethyl-3-fluoro-N-propan-2-ylpropan-1-amine
SMILESCCN(CCCF)C(C)C
InChIInChI=1S/C8H18FN/c1-4-10(8(2)3)7-5-6-9/h8H,4-7H2,1-3H3
InChIKeyROPJVUMWJHQWKN-UHFFFAOYSA-N
MW147.24 g/mol
LogP2.08
Rot. Bonds5

About N-ethyl-3-fluoro-N-propan-2-ylpropan-1-amine

N-ethyl-3-fluoro-N-propan-2-ylpropan-1-amine (PubChem CID 130890265) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-propan-2-ylpropan-1-amine
PubChem CID130890265
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC NameN-ethyl-3-fluoro-N-propan-2-ylpropan-1-amine
SMILESCCN(CCCF)C(C)C
InChIInChI=1S/C8H18FN/c1-4-10(8(2)3)7-5-6-9/h8H,4-7H2,1-3H3
InChIKeyROPJVUMWJHQWKN-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-ethyl-3-fluoro-N-propan-2-ylpropan-1-amine (CID 130890265) is N-ethyl-3-fluoro-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-fluoro-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-ethyl-3-fluoro-N-propan-2-ylpropan-1-amine is CCN(CCCF)C(C)C.
What is the InChIKey of N-ethyl-3-fluoro-N-propan-2-ylpropan-1-amine?
The InChIKey is ROPJVUMWJHQWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-4-10(8(2)3)7-5-6-9/h8H,4-7H2,1-3H3.
What are the key properties of N-ethyl-3-fluoro-N-propan-2-ylpropan-1-amine?
N-ethyl-3-fluoro-N-propan-2-ylpropan-1-amine has a molecular weight of 147.24 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 130890265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).