(Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine

C6H4F9NO — CID 134921957

IUPAC(Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine
SMILESCO/C(=C\N(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F9NO/c1-17-3(4(7,8)9)2-16(5(10,11)12)6(13,14)15/h2H,1H3/b3-2-
InChIKeyMLXWCIFYYMHSIY-IHWYPQMZSA-N
MW277.09 g/mol
LogP3.38
Rot. Bonds2

About (Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine

(Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine (PubChem CID 134921957) has the molecular formula C6H4F9NO and a molecular weight of 277.09 g/mol. Its IUPAC name is (Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine
PubChem CID134921957
Molecular FormulaC6H4F9NO
Molecular Weight277.09 g/mol
Exact Mass277.01
IUPAC Name(Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine
SMILESCO/C(=C\N(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F9NO/c1-17-3(4(7,8)9)2-16(5(10,11)12)6(13,14)15/h2H,1H3/b3-2-
InChIKeyMLXWCIFYYMHSIY-IHWYPQMZSA-N
XLogP3.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene
CID 71356319
(E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene
CID 130311890
2,2,3,3,5,5,6,6-octafluoro-4-(3,3,3-trifluoro-2-methoxyprop-1-enyl)morpholine
CID 158360632
2,2-dimethyl-3-[(E)-3,3,3-trifluoro-2-methoxyprop-1-enyl]cyclopropane-1-carboxylic acid
CID 20564394
[(Z)-1,1,1,4,4,4-hexafluorobut-2-en-2-yl] acetate
CID 24973302
methyl hydrogen carbonate;2,2,2-trifluoroacetic acid
CID 158638631
(E)-1,2,3,3,3-pentafluoro-1-methoxyprop-1-ene
CID 10176261
(2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene
CID 177437999
1,1,1-trifluorobut-2-en-2-yl hydrogen carbonate
CID 175534100
1,1,1-trifluorobut-2-en-2-yl dihydrogen phosphate
CID 90860946
(3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene
CID 178140699
1,2,3-trimethoxy-1-silylprop-2-en-1-amine
CID 173071555

Frequently Asked Questions

What is the IUPAC name of (Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
The IUPAC name of (Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine (CID 134921957) is (Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine is CO/C(=C\N(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
The InChIKey is MLXWCIFYYMHSIY-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H4F9NO/c1-17-3(4(7,8)9)2-16(5(10,11)12)6(13,14)15/h2H,1H3/b3-2-.
What are the key properties of (Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
(Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine has a molecular weight of 277.09 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3,3-trifluoro-2-methoxy-N,N-bis(trifluoromethyl)prop-1-en-1-amine is sourced from PubChem (CID 134921957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).