(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone

C16H24F3NO — CID 169023692

IUPAC(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCC(C)C1=CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H24F3NO/c1-11(2)12-7-9-20(10-8-12)15(21)13-3-5-14(6-4-13)16(17,18)19/h7,11,13-14H,3-6,8-10H2,1-2H3
InChIKeySYBHYTJUTIOHCM-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.17
Rot. Bonds2

About (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone

(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 169023692) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID169023692
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCC(C)C1=CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C16H24F3NO/c1-11(2)12-7-9-20(10-8-12)15(21)13-3-5-14(6-4-13)16(17,18)19/h7,11,13-14H,3-6,8-10H2,1-2H3
InChIKeySYBHYTJUTIOHCM-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone (CID 169023692) is (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone is CC(C)C1=CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is SYBHYTJUTIOHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-11(2)12-7-9-20(10-8-12)15(21)13-3-5-14(6-4-13)16(17,18)19/h7,11,13-14H,3-6,8-10H2,1-2H3.
What are the key properties of (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 303.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 169023692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).