4,4,4-trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol

C13H20F3NO — CID 171555966

IUPAC4,4,4-trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol
SMILESCC1=CC(C(O)CCC(F)(F)F)NC=C1C(C)C
InChIInChI=1S/C13H20F3NO/c1-8(2)10-7-17-11(6-9(10)3)12(18)4-5-13(14,15)16/h6-8,11-12,17-18H,4-5H2,1-3H3
InChIKeyXFYGBCBDJCFSNL-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.15
Rot. Bonds4

About 4,4,4-trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol

4,4,4-trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol (PubChem CID 171555966) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol
PubChem CID171555966
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name4,4,4-trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol
SMILESCC1=CC(C(O)CCC(F)(F)F)NC=C1C(C)C
InChIInChI=1S/C13H20F3NO/c1-8(2)10-7-17-11(6-9(10)3)12(18)4-5-13(14,15)16/h6-8,11-12,17-18H,4-5H2,1-3H3
InChIKeyXFYGBCBDJCFSNL-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol (CID 171555966) is 4,4,4-trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol is CC1=CC(C(O)CCC(F)(F)F)NC=C1C(C)C.
What is the InChIKey of 4,4,4-trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol?
The InChIKey is XFYGBCBDJCFSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c1-8(2)10-7-17-11(6-9(10)3)12(18)4-5-13(14,15)16/h6-8,11-12,17-18H,4-5H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol?
4,4,4-trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol has a molecular weight of 263.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(4-methyl-5-propan-2-yl-1,2-dihydropyridin-2-yl)butan-1-ol is sourced from PubChem (CID 171555966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).