2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one

C14H22F3NO — CID 115513982

IUPAC2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1CCCC(F)(F)F
InChIInChI=1S/C14H22F3NO/c15-14(16,17)8-4-10-18-9-2-1-6-12(18)11-5-3-7-13(11)19/h11-12H,1-10H2
InChIKeyMRLALCXHFKSFHC-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.55
Rot. Bonds4

About 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one

2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one (PubChem CID 115513982) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one
PubChem CID115513982
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1CCCC(F)(F)F
InChIInChI=1S/C14H22F3NO/c15-14(16,17)8-4-10-18-9-2-1-6-12(18)11-5-3-7-13(11)19/h11-12H,1-10H2
InChIKeyMRLALCXHFKSFHC-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one (CID 115513982) is 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCCN1CCCC(F)(F)F.
What is the InChIKey of 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one?
The InChIKey is MRLALCXHFKSFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c15-14(16,17)8-4-10-18-9-2-1-6-12(18)11-5-3-7-13(11)19/h11-12H,1-10H2.
What are the key properties of 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one?
2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one has a molecular weight of 277.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 115513982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).