(2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone

C15H23F4NO — CID 67953155

IUPAC(2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone
SMILESCC(C)(C)C1CC(F)(F)CN1C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C15H23F4NO/c1-13(2,3)11-8-15(18,19)9-20(11)12(21)10-4-6-14(16,17)7-5-10/h10-11H,4-9H2,1-3H3
InChIKeyGVSMDKSXZLKHPR-UHFFFAOYSA-N
MW309.35 g/mol
LogP4.09
Rot. Bonds1

About (2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone

(2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone (PubChem CID 67953155) has the molecular formula C15H23F4NO and a molecular weight of 309.35 g/mol. Its IUPAC name is (2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone
PubChem CID67953155
Molecular FormulaC15H23F4NO
Molecular Weight309.35 g/mol
Exact Mass309.17
IUPAC Name(2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone
SMILESCC(C)(C)C1CC(F)(F)CN1C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C15H23F4NO/c1-13(2,3)11-8-15(18,19)9-20(11)12(21)10-4-6-14(16,17)7-5-10/h10-11H,4-9H2,1-3H3
InChIKeyGVSMDKSXZLKHPR-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4,4-Difluorocyclohexyl)-(2-methylpyrrolidin-1-yl)methanone
CID 67953860
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CID 135026562
1,3-Dimethyl-3-(2,2,2-trifluoroethyl)-3a,4,5,6,7,7a-hexahydroindol-2-one
CID 135028319
Propylhexadrine, n-heptafluorobutyryl deriv.
CID 620271
N,N-dibutyl-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 5082888
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipentylcyclohexane-1-carboxamide
CID 5092805
Cyclohexanecarbonyl-dipropyl-(trifluoromethyl)azanium
CID 21738643
N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-propylacetamide
CID 58376855
(2-Tert-butylpiperidin-1-yl)-(4,4-difluorocyclohexyl)methanone
CID 58564060
(4S)-4-(4-fluoro-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one
CID 59109339
(2-Tert-butylazetidin-1-yl)-(4,4-difluorocyclohexyl)methanone
CID 67953046
(4,4-Difluorocyclohexyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 67953176

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone?
The IUPAC name of (2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone (CID 67953155) is (2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone.
What is the SMILES notation for (2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone?
The canonical SMILES for (2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone is CC(C)(C)C1CC(F)(F)CN1C(=O)C1CCC(F)(F)CC1.
What is the InChIKey of (2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone?
The InChIKey is GVSMDKSXZLKHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F4NO/c1-13(2,3)11-8-15(18,19)9-20(11)12(21)10-4-6-14(16,17)7-5-10/h10-11H,4-9H2,1-3H3.
What are the key properties of (2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone?
(2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone has a molecular weight of 309.35 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4,4-difluoropyrrolidin-1-yl)-(4,4-difluorocyclohexyl)methanone is sourced from PubChem (CID 67953155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).