N-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine

C6H11F2N — CID 146292682

IUPACN-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine
SMILESC=C(C)N(CF)CCF
InChIInChI=1S/C6H11F2N/c1-6(2)9(5-8)4-3-7/h1,3-5H2,2H3
InChIKeySIHXSYZIRUNNDM-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.72
Rot. Bonds4

About N-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine

N-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine (PubChem CID 146292682) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine
PubChem CID146292682
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC NameN-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine
SMILESC=C(C)N(CF)CCF
InChIInChI=1S/C6H11F2N/c1-6(2)9(5-8)4-3-7/h1,3-5H2,2H3
InChIKeySIHXSYZIRUNNDM-UHFFFAOYSA-N
XLogP1.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.72
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

Ethene, 1-(dimethylamino)-1-(trifluoromethyl)-
CID 586956
N-methyl-N-propyli-propenylamine
CID 58183829
Ethene, 1-(diethylamino)-1-(trifluoromethyl)-
CID 592255
3,3-Difluoro-1-prop-1-en-2-ylazetidine
CID 146292708
(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
N-[(1R)-1-fluoroethyl]-N-methylprop-1-en-2-amine
CID 163860747
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
(Z)-N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine
CID 167287848

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine?
The IUPAC name of N-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine (CID 146292682) is N-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine is C=C(C)N(CF)CCF.
What is the InChIKey of N-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine?
The InChIKey is SIHXSYZIRUNNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-6(2)9(5-8)4-3-7/h1,3-5H2,2H3.
What are the key properties of N-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine?
N-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine has a molecular weight of 135.16 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-(fluoromethyl)prop-1-en-2-amine is sourced from PubChem (CID 146292682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).