(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine

C9H16F3N — CID 144760645

IUPAC(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine
SMILESC/C=C(/C(C)C(F)(F)F)N(C)CC
InChIInChI=1S/C9H16F3N/c1-5-8(13(4)6-2)7(3)9(10,11)12/h5,7H,6H2,1-4H3/b8-5-
InChIKeyTXELJANMGHQFAZ-YVMONPNESA-N
MW195.23 g/mol
LogP3.04
Rot. Bonds3

About (Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine

(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine (PubChem CID 144760645) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is (Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine
PubChem CID144760645
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine
SMILESC/C=C(/C(C)C(F)(F)F)N(C)CC
InChIInChI=1S/C9H16F3N/c1-5-8(13(4)6-2)7(3)9(10,11)12/h5,7H,6H2,1-4H3/b8-5-
InChIKeyTXELJANMGHQFAZ-YVMONPNESA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine?
The IUPAC name of (Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine (CID 144760645) is (Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine.
What is the SMILES notation for (Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine?
The canonical SMILES for (Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine is C/C=C(/C(C)C(F)(F)F)N(C)CC.
What is the InChIKey of (Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine?
The InChIKey is TXELJANMGHQFAZ-YVMONPNESA-N. The full InChI is InChI=1S/C9H16F3N/c1-5-8(13(4)6-2)7(3)9(10,11)12/h5,7H,6H2,1-4H3/b8-5-.
What are the key properties of (Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine?
(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine has a molecular weight of 195.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine is sourced from PubChem (CID 144760645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).