N-fluoro-N-prop-1-en-2-ylpropan-2-amine

C6H12FN — CID 138600465

IUPACN-fluoro-N-prop-1-en-2-ylpropan-2-amine
SMILESC=C(C)N(F)C(C)C
InChIInChI=1S/C6H12FN/c1-5(2)8(7)6(3)4/h6H,1H2,2-4H3
InChIKeyASGYMBXEGWDTTK-UHFFFAOYSA-N
MW117.17 g/mol
LogP2.11
Rot. Bonds2

About N-fluoro-N-prop-1-en-2-ylpropan-2-amine

N-fluoro-N-prop-1-en-2-ylpropan-2-amine (PubChem CID 138600465) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is N-fluoro-N-prop-1-en-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-fluoro-N-prop-1-en-2-ylpropan-2-amine
PubChem CID138600465
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC NameN-fluoro-N-prop-1-en-2-ylpropan-2-amine
SMILESC=C(C)N(F)C(C)C
InChIInChI=1S/C6H12FN/c1-5(2)8(7)6(3)4/h6H,1H2,2-4H3
InChIKeyASGYMBXEGWDTTK-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine
CID 163860747
N-fluoro-N-methylprop-1-en-2-amine
CID 173796278
N-methyl-N-prop-1-en-2-ylpropan-2-amine
CID 12556472
N,N-Diethylprop-1-en-2-amine
CID 12570651
N-ethyl-N-methylprop-1-en-2-amine
CID 19350350
Carbanide;propan-2-yl(prop-1-en-2-yl)azanide;ruthenium(3+)
CID 59157018
Carbanide;nickel(3+);propan-2-yl(prop-1-en-2-yl)azanide
CID 59157020
Carbanide;cobalt(3+);propan-2-yl(prop-1-en-2-yl)azanide
CID 59157025

Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-prop-1-en-2-ylpropan-2-amine?
The IUPAC name of N-fluoro-N-prop-1-en-2-ylpropan-2-amine (CID 138600465) is N-fluoro-N-prop-1-en-2-ylpropan-2-amine.
What is the SMILES notation for N-fluoro-N-prop-1-en-2-ylpropan-2-amine?
The canonical SMILES for N-fluoro-N-prop-1-en-2-ylpropan-2-amine is C=C(C)N(F)C(C)C.
What is the InChIKey of N-fluoro-N-prop-1-en-2-ylpropan-2-amine?
The InChIKey is ASGYMBXEGWDTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-5(2)8(7)6(3)4/h6H,1H2,2-4H3.
What are the key properties of N-fluoro-N-prop-1-en-2-ylpropan-2-amine?
N-fluoro-N-prop-1-en-2-ylpropan-2-amine has a molecular weight of 117.17 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-prop-1-en-2-ylpropan-2-amine is sourced from PubChem (CID 138600465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).