butane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine

C9H18F3N — CID 145085890

IUPACbutane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine
SMILESC/C=C(\NC)C(F)(F)F.CCCC
InChIInChI=1S/C5H8F3N.C4H10/c1-3-4(9-2)5(6,7)8;1-3-4-2/h3,9H,1-2H3;3-4H2,1-2H3/b4-3-;
InChIKeyZPWAIIRZRIKCBM-LNKPDPKZSA-N
MW197.24 g/mol
LogP3.48
Rot. Bonds2

About butane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine

butane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine (PubChem CID 145085890) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is butane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine.

Molecular Properties

Compound Namebutane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine
PubChem CID145085890
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC Namebutane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine
SMILESC/C=C(\NC)C(F)(F)F.CCCC
InChIInChI=1S/C5H8F3N.C4H10/c1-3-4(9-2)5(6,7)8;1-3-4-2/h3,9H,1-2H3;3-4H2,1-2H3/b4-3-;
InChIKeyZPWAIIRZRIKCBM-LNKPDPKZSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine?
The IUPAC name of butane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine (CID 145085890) is butane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine.
What is the SMILES notation for butane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine?
The canonical SMILES for butane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine is C/C=C(\NC)C(F)(F)F.CCCC.
What is the InChIKey of butane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine?
The InChIKey is ZPWAIIRZRIKCBM-LNKPDPKZSA-N. The full InChI is InChI=1S/C5H8F3N.C4H10/c1-3-4(9-2)5(6,7)8;1-3-4-2/h3,9H,1-2H3;3-4H2,1-2H3/b4-3-;.
What are the key properties of butane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine?
butane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine has a molecular weight of 197.24 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(Z)-1,1,1-trifluoro-N-methylbut-2-en-2-amine is sourced from PubChem (CID 145085890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).