4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine

C15H19F4NO — CID 11702233

IUPAC4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine
SMILESCCCN1CCC(c2cccc(OC(F)(F)F)c2F)CC1
InChIInChI=1S/C15H19F4NO/c1-2-8-20-9-6-11(7-10-20)12-4-3-5-13(14(12)16)21-15(17,18)19/h3-5,11H,2,6-10H2,1H3
InChIKeyKVVCRZQUAGDNTN-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.31
Rot. Bonds4

About 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine

4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine (PubChem CID 11702233) has the molecular formula C15H19F4NO and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine.

Molecular Properties

Compound Name4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine
PubChem CID11702233
Molecular FormulaC15H19F4NO
Molecular Weight305.31 g/mol
Exact Mass305.14
IUPAC Name4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine
SMILESCCCN1CCC(c2cccc(OC(F)(F)F)c2F)CC1
InChIInChI=1S/C15H19F4NO/c1-2-8-20-9-6-11(7-10-20)12-4-3-5-13(14(12)16)21-15(17,18)19/h3-5,11H,2,6-10H2,1H3
InChIKeyKVVCRZQUAGDNTN-UHFFFAOYSA-N
XLogP4.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine?
The IUPAC name of 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine (CID 11702233) is 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine.
What is the SMILES notation for 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine?
The canonical SMILES for 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine is CCCN1CCC(c2cccc(OC(F)(F)F)c2F)CC1.
What is the InChIKey of 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine?
The InChIKey is KVVCRZQUAGDNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO/c1-2-8-20-9-6-11(7-10-20)12-4-3-5-13(14(12)16)21-15(17,18)19/h3-5,11H,2,6-10H2,1H3.
What are the key properties of 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine?
4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine has a molecular weight of 305.31 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine is sourced from PubChem (CID 11702233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).