prop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine

C9H12F3N — CID 142439236

IUPACprop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine
SMILESC#CC.C/C=C\C(=N/C)C(F)(F)F
InChIInChI=1S/C6H8F3N.C3H4/c1-3-4-5(10-2)6(7,8)9;1-3-2/h3-4H,1-2H3;1H,2H3/b4-3-,10-5+;
InChIKeyHSIHWZRXQVGZFD-HGMYAUDCSA-N
MW191.20 g/mol
LogP2.84
Rot. Bonds1

About prop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine

prop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine (PubChem CID 142439236) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is prop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine.

Molecular Properties

Compound Nameprop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine
PubChem CID142439236
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Nameprop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine
SMILESC#CC.C/C=C\C(=N/C)C(F)(F)F
InChIInChI=1S/C6H8F3N.C3H4/c1-3-4-5(10-2)6(7,8)9;1-3-2/h3-4H,1-2H3;1H,2H3/b4-3-,10-5+;
InChIKeyHSIHWZRXQVGZFD-HGMYAUDCSA-N
XLogP2.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
(Z)-N-ethynyl-1,1,1-trifluorohex-3-en-2-imine
CID 134566736
(Z)-1,1-difluoro-N-methylpent-3-en-2-imine
CID 138552264
(Z)-1,1,1-trifluoro-N-methylhept-3-en-2-imine
CID 142438419
(3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine
CID 142438463
(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 142439237
(3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine
CID 142448631
ethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 143347082
ethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine
CID 143349967

Frequently Asked Questions

What is the IUPAC name of prop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine?
The IUPAC name of prop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine (CID 142439236) is prop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine.
What is the SMILES notation for prop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine?
The canonical SMILES for prop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine is C#CC.C/C=C\C(=N/C)C(F)(F)F.
What is the InChIKey of prop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine?
The InChIKey is HSIHWZRXQVGZFD-HGMYAUDCSA-N. The full InChI is InChI=1S/C6H8F3N.C3H4/c1-3-4-5(10-2)6(7,8)9;1-3-2/h3-4H,1-2H3;1H,2H3/b4-3-,10-5+;.
What are the key properties of prop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine?
prop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine has a molecular weight of 191.20 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine is sourced from PubChem (CID 142439236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).