N-[(E)-3-fluoroprop-2-enyl]butan-2-amine

C7H14FN — CID 23199520

IUPACN-[(E)-3-fluoroprop-2-enyl]butan-2-amine
SMILESCCC(C)NC/C=C/F
InChIInChI=1S/C7H14FN/c1-3-7(2)9-6-4-5-8/h4-5,7,9H,3,6H2,1-2H3/b5-4+
InChIKeyHAPURYGJVNFBMH-SNAWJCMRSA-N
MW131.19 g/mol
LogP1.86
Rot. Bonds4

About N-[(E)-3-fluoroprop-2-enyl]butan-2-amine

N-[(E)-3-fluoroprop-2-enyl]butan-2-amine (PubChem CID 23199520) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is N-[(E)-3-fluoroprop-2-enyl]butan-2-amine.

Molecular Properties

Compound NameN-[(E)-3-fluoroprop-2-enyl]butan-2-amine
PubChem CID23199520
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC NameN-[(E)-3-fluoroprop-2-enyl]butan-2-amine
SMILESCCC(C)NC/C=C/F
InChIInChI=1S/C7H14FN/c1-3-7(2)9-6-4-5-8/h4-5,7,9H,3,6H2,1-2H3/b5-4+
InChIKeyHAPURYGJVNFBMH-SNAWJCMRSA-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-[(E)-3-fluoroprop-2-enyl]butan-2-amine?
The IUPAC name of N-[(E)-3-fluoroprop-2-enyl]butan-2-amine (CID 23199520) is N-[(E)-3-fluoroprop-2-enyl]butan-2-amine.
What is the SMILES notation for N-[(E)-3-fluoroprop-2-enyl]butan-2-amine?
The canonical SMILES for N-[(E)-3-fluoroprop-2-enyl]butan-2-amine is CCC(C)NC/C=C/F.
What is the InChIKey of N-[(E)-3-fluoroprop-2-enyl]butan-2-amine?
The InChIKey is HAPURYGJVNFBMH-SNAWJCMRSA-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/b5-4+.
What are the key properties of N-[(E)-3-fluoroprop-2-enyl]butan-2-amine?
N-[(E)-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-[(E)-3-fluoroprop-2-enyl]butan-2-amine is sourced from PubChem (CID 23199520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).