(Z)-2,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]pent-2-en-1-one

C13H20F3NO — CID 162605002

IUPAC(Z)-2,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]pent-2-en-1-one
SMILESCC/C(C)=C(/C)C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO/c1-4-9(2)10(3)12(18)17-7-5-11(6-8-17)13(14,15)16/h11H,4-8H2,1-3H3/b10-9-
InChIKeySFCAUWFCDDNOBA-KTKRTIGZSA-N
MW263.30 g/mol
LogP3.53
Rot. Bonds2

About (Z)-2,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]pent-2-en-1-one

(Z)-2,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]pent-2-en-1-one (PubChem CID 162605002) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is (Z)-2,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]pent-2-en-1-one.

Molecular Properties

Compound Name(Z)-2,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]pent-2-en-1-one
PubChem CID162605002
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name(Z)-2,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]pent-2-en-1-one
SMILESCC/C(C)=C(/C)C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO/c1-4-9(2)10(3)12(18)17-7-5-11(6-8-17)13(14,15)16/h11H,4-8H2,1-3H3/b10-9-
InChIKeySFCAUWFCDDNOBA-KTKRTIGZSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]pent-2-en-1-one?
The IUPAC name of (Z)-2,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]pent-2-en-1-one (CID 162605002) is (Z)-2,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]pent-2-en-1-one.
What is the SMILES notation for (Z)-2,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]pent-2-en-1-one?
The canonical SMILES for (Z)-2,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]pent-2-en-1-one is CC/C(C)=C(/C)C(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of (Z)-2,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]pent-2-en-1-one?
The InChIKey is SFCAUWFCDDNOBA-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H20F3NO/c1-4-9(2)10(3)12(18)17-7-5-11(6-8-17)13(14,15)16/h11H,4-8H2,1-3H3/b10-9-.
What are the key properties of (Z)-2,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]pent-2-en-1-one?
(Z)-2,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]pent-2-en-1-one has a molecular weight of 263.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]pent-2-en-1-one is sourced from PubChem (CID 162605002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).