(4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C17H19F5N2O — CID 120955413

IUPAC(4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(C1CC(F)(F)CN1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H19F5N2O/c18-16(19)9-14(23-10-16)15(25)24-7-5-12(6-8-24)11-1-3-13(4-2-11)17(20,21)22/h1-4,12,14,23H,5-10H2
InChIKeyGZWOBUKHAAKHDO-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.41
Rot. Bonds2

About (4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

(4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 120955413) has the molecular formula C17H19F5N2O and a molecular weight of 362.34 g/mol. Its IUPAC name is (4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID120955413
Molecular FormulaC17H19F5N2O
Molecular Weight362.34 g/mol
Exact Mass362.14
IUPAC Name(4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(C1CC(F)(F)CN1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H19F5N2O/c18-16(19)9-14(23-10-16)15(25)24-7-5-12(6-8-24)11-1-3-13(4-2-11)17(20,21)22/h1-4,12,14,23H,5-10H2
InChIKeyGZWOBUKHAAKHDO-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 120955413) is (4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is O=C(C1CC(F)(F)CN1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is GZWOBUKHAAKHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F5N2O/c18-16(19)9-14(23-10-16)15(25)24-7-5-12(6-8-24)11-1-3-13(4-2-11)17(20,21)22/h1-4,12,14,23H,5-10H2.
What are the key properties of (4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 362.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropyrrolidin-2-yl)-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 120955413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).