N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine

C7H14FN — CID 139429986

IUPACN-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine
SMILESC=C(CF)NCC(C)C
InChIInChI=1S/C7H14FN/c1-6(2)5-9-7(3)4-8/h6,9H,3-5H2,1-2H3
InChIKeyMBZZFJSXYZLFEO-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.72
Rot. Bonds4

About N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine

N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine (PubChem CID 139429986) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine
PubChem CID139429986
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC NameN-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine
SMILESC=C(CF)NCC(C)C
InChIInChI=1S/C7H14FN/c1-6(2)5-9-7(3)4-8/h6,9H,3-5H2,1-2H3
InChIKeyMBZZFJSXYZLFEO-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethylprop-1-en-2-amine
CID 11170914
3-fluoro-N-propylbut-1-en-2-amine
CID 88874456
(Z)-2-fluoro-N-prop-1-en-2-ylprop-1-en-1-amine
CID 131999490
N-(2,2,2-trifluoroethyl)prop-1-en-2-amine
CID 134356739
4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine
CID 142175087
N-(2-fluoroethyl)prop-1-en-2-amine
CID 143207230
N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine
CID 146536937
N-(2,2-difluoroethyl)prop-1-en-2-amine
CID 146616968
3-methyl-N-(2,2,2-trifluoroethyl)but-1-en-2-amine
CID 154671759
N-(2,2-difluoroethyl)-3-methylbut-1-en-2-amine
CID 155037031
(Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine
CID 155330138
2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-amine
CID 167044293

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine?
The IUPAC name of N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine (CID 139429986) is N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine is C=C(CF)NCC(C)C.
What is the InChIKey of N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine?
The InChIKey is MBZZFJSXYZLFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-6(2)5-9-7(3)4-8/h6,9H,3-5H2,1-2H3.
What are the key properties of N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine?
N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine has a molecular weight of 131.19 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 139429986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).