N-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine

C6H7F6N — CID 159386895

IUPACN-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine
SMILESCN(C=C(F)C(F)(F)F)C(C)(F)F
InChIInChI=1S/C6H7F6N/c1-5(8,9)13(2)3-4(7)6(10,11)12/h3H,1-2H3
InChIKeyLLPMUOWXPPUFDZ-UHFFFAOYSA-N
MW207.12 g/mol
LogP2.90
Rot. Bonds2

About N-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine

N-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine (PubChem CID 159386895) has the molecular formula C6H7F6N and a molecular weight of 207.12 g/mol. Its IUPAC name is N-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine
PubChem CID159386895
Molecular FormulaC6H7F6N
Molecular Weight207.12 g/mol
Exact Mass207.05
IUPAC NameN-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine
SMILESCN(C=C(F)C(F)(F)F)C(C)(F)F
InChIInChI=1S/C6H7F6N/c1-5(8,9)13(2)3-4(7)6(10,11)12/h3H,1-2H3
InChIKeyLLPMUOWXPPUFDZ-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.12
LogP ≤ 52.90
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

Hexafluoroisobutenyldimethylamine
CID 2748529
1,2,3,3,3-Pentafluoro-1-propenyldiethylamine
CID 5909846
trimethyl-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]azanium iodide
CID 9839254
N,N-diethylpentafluoropropenylamine
CID 3741049
(Z)-N,N-diethyl-1,2,3,3,3-pentafluoroprop-1-en-1-amine
CID 15914333
N,N,N',N'-tetrakis(trifluoromethyl)propa-1,2-diene-1,3-diamine
CID 135082059
(Z)-2,3,3,3-tetrafluoro-N,N-dimethylprop-1-en-1-amine
CID 11073673
(2,3,3-Trifluoro-1-propenyl)trimethylaminium
CID 10945866
(Z)-1,3,3,3-tetrafluoro-N,N-dimethylprop-1-en-1-amine
CID 11964066
Trimethyl(2,3,3-trifluoroprop-1-enyl)azanium
CID 54396200
Trimethyl(2,3,3-trifluoroprop-1-enyl)azanium;iodide
CID 85291558
(Z)-1,3,3,3-tetrafluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine
CID 129271428

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine?
The IUPAC name of N-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine (CID 159386895) is N-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine.
What is the SMILES notation for N-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine?
The canonical SMILES for N-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine is CN(C=C(F)C(F)(F)F)C(C)(F)F.
What is the InChIKey of N-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine?
The InChIKey is LLPMUOWXPPUFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6N/c1-5(8,9)13(2)3-4(7)6(10,11)12/h3H,1-2H3.
What are the key properties of N-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine?
N-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine has a molecular weight of 207.12 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoroethyl)-2,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine is sourced from PubChem (CID 159386895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).