N-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine

C6H12FN — CID 163860747

IUPACN-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine
SMILESC=C(C)N(C)[C@@H](C)F
InChIInChI=1S/C6H12FN/c1-5(2)8(4)6(3)7/h6H,1H2,2-4H3/t6-/m0/s1
InChIKeyPCHRUAQCOPXYGO-LURJTMIESA-N
MW117.17 g/mol
LogP1.77
Rot. Bonds2

About N-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine

N-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine (PubChem CID 163860747) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is N-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine
PubChem CID163860747
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC NameN-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine
SMILESC=C(C)N(C)[C@@H](C)F
InChIInChI=1S/C6H12FN/c1-5(2)8(4)6(3)7/h6H,1H2,2-4H3/t6-/m0/s1
InChIKeyPCHRUAQCOPXYGO-LURJTMIESA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N,N-diethyl-1-fluoroprop-1-en-1-amine
CID 134986396
N-methyl-N-propyli-propenylamine
CID 58183829
Ethene, 1-(diethylamino)-1-(trifluoromethyl)-
CID 592255
N-fluoro-N-prop-1-en-2-ylpropan-2-amine
CID 138600465
N-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine
CID 146292682
(E)-1-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine
CID 146392901
N,N-bis(2-fluoroethyl)prop-1-en-2-amine
CID 163258122
N-ethyl-3,3,3-trifluoro-N-prop-1-en-2-ylpropan-1-amine
CID 163422333
(Z)-2-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine
CID 163483687
3-Fluoro-1-prop-1-en-2-ylazetidine
CID 166960449
3,3,3-trifluoro-N-methyl-N-propan-2-ylprop-1-en-2-amine
CID 167040136
(Z)-N-(1-fluoroethyl)-N-methylbut-2-en-2-amine
CID 167142859

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine?
The IUPAC name of N-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine (CID 163860747) is N-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine.
What is the SMILES notation for N-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine?
The canonical SMILES for N-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine is C=C(C)N(C)[C@@H](C)F.
What is the InChIKey of N-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine?
The InChIKey is PCHRUAQCOPXYGO-LURJTMIESA-N. The full InChI is InChI=1S/C6H12FN/c1-5(2)8(4)6(3)7/h6H,1H2,2-4H3/t6-/m0/s1.
What are the key properties of N-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine?
N-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine has a molecular weight of 117.17 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine is sourced from PubChem (CID 163860747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).