4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine

C14H18F3NO — CID 117435548

IUPAC4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine
SMILESCOc1c(F)cc(C(C)(F)F)cc1C1CCNCC1
InChIInChI=1S/C14H18F3NO/c1-14(16,17)10-7-11(9-3-5-18-6-4-9)13(19-2)12(15)8-10/h7-9,18H,3-6H2,1-2H3
InChIKeyYIRRCUYHDQVBAN-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.41
Rot. Bonds3

About 4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine

4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine (PubChem CID 117435548) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine.

Molecular Properties

Compound Name4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine
PubChem CID117435548
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine
SMILESCOc1c(F)cc(C(C)(F)F)cc1C1CCNCC1
InChIInChI=1S/C14H18F3NO/c1-14(16,17)10-7-11(9-3-5-18-6-4-9)13(19-2)12(15)8-10/h7-9,18H,3-6H2,1-2H3
InChIKeyYIRRCUYHDQVBAN-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117382003
4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine
CID 117386422
3-(5-chloro-3-fluoro-2-methoxyphenyl)pyrrolidine
CID 117331486
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol
CID 84799689
4-(4-tert-butyl-2,6-difluorophenyl)piperidine
CID 121475944
4-(2,3-dimethoxy-4,5-dimethylphenyl)piperidine
CID 117377304
1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]cyclopropan-1-ol
CID 117367345
4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 169452686
4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine
CID 117460328
4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine
CID 117467271
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine?
The IUPAC name of 4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine (CID 117435548) is 4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine.
What is the SMILES notation for 4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine?
The canonical SMILES for 4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine is COc1c(F)cc(C(C)(F)F)cc1C1CCNCC1.
What is the InChIKey of 4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine?
The InChIKey is YIRRCUYHDQVBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-14(16,17)10-7-11(9-3-5-18-6-4-9)13(19-2)12(15)8-10/h7-9,18H,3-6H2,1-2H3.
What are the key properties of 4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine?
4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine has a molecular weight of 273.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine is sourced from PubChem (CID 117435548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).