4-tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine

C15H21F2N — CID 143668305

IUPAC4-tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine
SMILESCC(C)(C)C1C=C(C2CCC(F)C=C2F)N=CC1
InChIInChI=1S/C15H21F2N/c1-15(2,3)10-6-7-18-14(8-10)12-5-4-11(16)9-13(12)17/h7-12H,4-6H2,1-3H3
InChIKeyZZJYQWFZRIAVCZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.61
Rot. Bonds1

About 4-tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine

4-tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine (PubChem CID 143668305) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name4-tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine
PubChem CID143668305
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name4-tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine
SMILESCC(C)(C)C1C=C(C2CCC(F)C=C2F)N=CC1
InChIInChI=1S/C15H21F2N/c1-15(2,3)10-6-7-18-14(8-10)12-5-4-11(16)9-13(12)17/h7-12H,4-6H2,1-3H3
InChIKeyZZJYQWFZRIAVCZ-UHFFFAOYSA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-Fluorohexa-1,5-dien-3-yl)-6-methyl-3,4-dihydropyridine
CID 144727290
3,6-dimethyl-3-propan-2-yl-4H-pyridine
CID 154950995
3,6-dimethyl-3-(2-methylpropyl)-4H-pyridine
CID 155452964
6-(2-Methylpropyl)-3-propan-2-yl-3,4-dihydropyridine
CID 170267521
3-methyl-5-[(1S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]-3H-pyrrole
CID 141854725
6-Heptan-3-yl-3,4-dihydropyridine
CID 143661058
5-(2,2-dimethylhexan-3-yl)-3H-pyrrole
CID 164955739

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine?
The IUPAC name of 4-tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine (CID 143668305) is 4-tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine.
What is the SMILES notation for 4-tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine?
The canonical SMILES for 4-tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine is CC(C)(C)C1C=C(C2CCC(F)C=C2F)N=CC1.
What is the InChIKey of 4-tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine?
The InChIKey is ZZJYQWFZRIAVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-15(2,3)10-6-7-18-14(8-10)12-5-4-11(16)9-13(12)17/h7-12H,4-6H2,1-3H3.
What are the key properties of 4-tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine?
4-tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine has a molecular weight of 253.34 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(2,4-difluorocyclohex-2-en-1-yl)-3,4-dihydropyridine is sourced from PubChem (CID 143668305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).