N-(3-fluoroprop-2-enyl)butan-2-amine

C7H14FN — CID 173367167

IUPACN-(3-fluoroprop-2-enyl)butan-2-amine
SMILESCCC(C)NCC=CF
InChIInChI=1S/C7H14FN/c1-3-7(2)9-6-4-5-8/h4-5,7,9H,3,6H2,1-2H3
InChIKeyHAPURYGJVNFBMH-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.86
Rot. Bonds4

About N-(3-fluoroprop-2-enyl)butan-2-amine

N-(3-fluoroprop-2-enyl)butan-2-amine (PubChem CID 173367167) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is N-(3-fluoroprop-2-enyl)butan-2-amine.

Molecular Properties

Compound NameN-(3-fluoroprop-2-enyl)butan-2-amine
PubChem CID173367167
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC NameN-(3-fluoroprop-2-enyl)butan-2-amine
SMILESCCC(C)NCC=CF
InChIInChI=1S/C7H14FN/c1-3-7(2)9-6-4-5-8/h4-5,7,9H,3,6H2,1-2H3
InChIKeyHAPURYGJVNFBMH-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoroprop-2-enyl)butan-2-amine?
The IUPAC name of N-(3-fluoroprop-2-enyl)butan-2-amine (CID 173367167) is N-(3-fluoroprop-2-enyl)butan-2-amine.
What is the SMILES notation for N-(3-fluoroprop-2-enyl)butan-2-amine?
The canonical SMILES for N-(3-fluoroprop-2-enyl)butan-2-amine is CCC(C)NCC=CF.
What is the InChIKey of N-(3-fluoroprop-2-enyl)butan-2-amine?
The InChIKey is HAPURYGJVNFBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-3-7(2)9-6-4-5-8/h4-5,7,9H,3,6H2,1-2H3.
What are the key properties of N-(3-fluoroprop-2-enyl)butan-2-amine?
N-(3-fluoroprop-2-enyl)butan-2-amine has a molecular weight of 131.19 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoroprop-2-enyl)butan-2-amine is sourced from PubChem (CID 173367167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).