N,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine

C7H10F8N2 — CID 159470670

IUPACN,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine
SMILESC=CN(C(F)(F)F)C(F)(F)F.CN(CF)CF
InChIInChI=1S/C4H3F6N.C3H7F2N/c1-2-11(3(5,6)7)4(8,9)10;1-6(2-4)3-5/h2H,1H2;2-3H2,1H3
InChIKeyLVTJIYRVXPAWAC-UHFFFAOYSA-N
MW274.16 g/mol
LogP3.24
Rot. Bonds3

About N,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine

N,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine (PubChem CID 159470670) has the molecular formula C7H10F8N2 and a molecular weight of 274.16 g/mol. Its IUPAC name is N,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine.

Molecular Properties

Compound NameN,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine
PubChem CID159470670
Molecular FormulaC7H10F8N2
Molecular Weight274.16 g/mol
Exact Mass274.07
IUPAC NameN,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine
SMILESC=CN(C(F)(F)F)C(F)(F)F.CN(CF)CF
InChIInChI=1S/C4H3F6N.C3H7F2N/c1-2-11(3(5,6)7)4(8,9)10;1-6(2-4)3-5/h2H,1H2;2-3H2,1H3
InChIKeyLVTJIYRVXPAWAC-UHFFFAOYSA-N
XLogP3.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-2-fluoro-N,N-bis(trifluoromethyl)-vinylamine
CID 23234697
trans-2-fluoro-N,N-bis(trifluoromethyl)-vinylamine
CID 23234706
N,N-Bis(trifluoromethyl)vinylamine
CID 23234710
N-methyl-N-(trifluoromethyl)ethenamine
CID 121361159
N-ethenyl-2-fluoro-N-methylethanamine
CID 147158943
N-ethenyl-2,2,2-trifluoro-N-methylethanamine;tetrafluoromethane
CID 157733075
N-ethenyl-N,1,1-trifluoroethanamine;fluoroethane;tetrafluoromethane
CID 160185809
N-ethenyl-1,1-difluoro-N-methylethanamine
CID 160900448
(Z)-N'-ethyl-N,N-dimethyl-N'-(trifluoromethylsulfanyl)ethene-1,2-diamine
CID 170369355
N-ethenyl-3,3-difluoro-N-methylpropan-1-amine
CID 171087942
1-methyl-3-(trifluoromethyl)-2H-imidazole;hydrofluoride
CID 173053223
N-(fluoromethyl)-N-methylethenamine
CID 173634630

Frequently Asked Questions

What is the IUPAC name of N,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine?
The IUPAC name of N,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine (CID 159470670) is N,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine.
What is the SMILES notation for N,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine?
The canonical SMILES for N,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine is C=CN(C(F)(F)F)C(F)(F)F.CN(CF)CF.
What is the InChIKey of N,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine?
The InChIKey is LVTJIYRVXPAWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F6N.C3H7F2N/c1-2-11(3(5,6)7)4(8,9)10;1-6(2-4)3-5/h2H,1H2;2-3H2,1H3.
What are the key properties of N,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine?
N,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine has a molecular weight of 274.16 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(trifluoromethyl)ethenamine;1-fluoro-N-(fluoromethyl)-N-methylmethanamine is sourced from PubChem (CID 159470670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).