3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine

C7H14FN — CID 123709057

IUPAC3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)CF
InChIInChI=1S/C7H14FN/c1-3-4-9-6-7(2)5-8/h3,7,9H,1,4-6H2,2H3
InChIKeyRKSINSQCNZTSLG-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.37
Rot. Bonds5

About 3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine

3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine (PubChem CID 123709057) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine
PubChem CID123709057
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)CF
InChIInChI=1S/C7H14FN/c1-3-4-9-6-7(2)5-8/h3,7,9H,1,4-6H2,2H3
InChIKeyRKSINSQCNZTSLG-UHFFFAOYSA-N
XLogP1.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Allylethylamine
CID 72885
(Prop-2-en-1-yl)(propyl)amine
CID 12397185
Allyl-n-butyl-amine
CID 10396843
(E)-N-propylbut-2-en-1-amine
CID 20460692
N-Isobutyl-2-propen-1-amine
CID 11062339
N-[(E)-3-fluoroprop-2-enyl]butan-2-amine
CID 23199520
N-(3-fluoroprop-2-enyl)butan-1-amine
CID 53674097
N-ethyl-2-fluoroprop-2-en-1-amine
CID 55288507
2-Fluoro-3-methyl-1,2,3,6-tetrahydropyridine
CID 57170630
3-fluoro-N-methylprop-2-en-1-amine
CID 73664751
N-(2-fluoroethyl)prop-2-en-1-amine
CID 80699895
3-fluoro-N-prop-2-enylpropan-1-amine
CID 81106914

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine?
The IUPAC name of 3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine (CID 123709057) is 3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine is C=CCNCC(C)CF.
What is the InChIKey of 3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine?
The InChIKey is RKSINSQCNZTSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-3-4-9-6-7(2)5-8/h3,7,9H,1,4-6H2,2H3.
What are the key properties of 3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine?
3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine has a molecular weight of 131.19 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 123709057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).