2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine

C14H18F3N — CID 117396450

IUPAC2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine
SMILESCC(C)(F)c1cc(F)c(F)c(C2CCCCN2)c1
InChIInChI=1S/C14H18F3N/c1-14(2,17)9-7-10(13(16)11(15)8-9)12-5-3-4-6-18-12/h7-8,12,18H,3-6H2,1-2H3
InChIKeyUSFAKQBYXZUIDU-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.98
Rot. Bonds2

About 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine

2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine (PubChem CID 117396450) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine.

Molecular Properties

Compound Name2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine
PubChem CID117396450
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine
SMILESCC(C)(F)c1cc(F)c(F)c(C2CCCCN2)c1
InChIInChI=1S/C14H18F3N/c1-14(2,17)9-7-10(13(16)11(15)8-9)12-5-3-4-6-18-12/h7-8,12,18H,3-6H2,1-2H3
InChIKeyUSFAKQBYXZUIDU-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine
CID 117440261
2-(5-chloro-2,3-difluorophenyl)piperidine
CID 84795035
2-(2,3,5-trifluorophenyl)pyrrolidine
CID 77131470
(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride
CID 171196335
2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine
CID 117116819
2-(5-chloro-2,3-difluorophenyl)pyrrolidine
CID 84785733
2-[7-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]pyrrolidine
CID 117417339
(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 66519435
2-[3-(2-fluoropropan-2-yl)phenyl]piperidine
CID 84687033
2-fluoro-4-methyl-5-piperidin-2-ylphenol
CID 84780709
2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine
CID 117451731
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195018

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine?
The IUPAC name of 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine (CID 117396450) is 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine.
What is the SMILES notation for 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine?
The canonical SMILES for 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine is CC(C)(F)c1cc(F)c(F)c(C2CCCCN2)c1.
What is the InChIKey of 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine?
The InChIKey is USFAKQBYXZUIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-14(2,17)9-7-10(13(16)11(15)8-9)12-5-3-4-6-18-12/h7-8,12,18H,3-6H2,1-2H3.
What are the key properties of 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine?
2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine has a molecular weight of 257.30 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine is sourced from PubChem (CID 117396450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).