4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine

C12H13F4N — CID 84706137

IUPAC4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine
SMILESFc1cc(C(F)F)cc(C2CCNCC2)c1F
InChIInChI=1S/C12H13F4N/c13-10-6-8(12(15)16)5-9(11(10)14)7-1-3-17-4-2-7/h5-7,12,17H,1-4H2
InChIKeyVGYVOUKKHNLIME-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.37
Rot. Bonds2

About 4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine

4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine (PubChem CID 84706137) has the molecular formula C12H13F4N and a molecular weight of 247.23 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine
PubChem CID84706137
Molecular FormulaC12H13F4N
Molecular Weight247.23 g/mol
Exact Mass247.10
IUPAC Name4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine
SMILESFc1cc(C(F)F)cc(C2CCNCC2)c1F
InChIInChI=1S/C12H13F4N/c13-10-6-8(12(15)16)5-9(11(10)14)7-1-3-17-4-2-7/h5-7,12,17H,1-4H2
InChIKeyVGYVOUKKHNLIME-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-difluoro-5-piperidin-4-ylbenzamide
CID 172648867
4-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117382003
(3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone
CID 172648907
N,N-diethyl-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
CID 172648900
N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
CID 172648880
4-(2,6-difluoro-4-propan-2-ylphenyl)piperidine
CID 130179117
4-(2,3-difluorophenyl)azepane
CID 83262443
2-fluoro-5-methyl-3-piperidin-4-ylphenol
CID 117299013
methyl 2,2-bis(3-cyclopropyl-4,5-difluorophenyl)acetate
CID 175141599
4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride
CID 177334106
2,6-difluoro-3-piperidin-4-ylaniline
CID 165455594
2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine
CID 117369679

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine?
The IUPAC name of 4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine (CID 84706137) is 4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine.
What is the SMILES notation for 4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine?
The canonical SMILES for 4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine is Fc1cc(C(F)F)cc(C2CCNCC2)c1F.
What is the InChIKey of 4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine?
The InChIKey is VGYVOUKKHNLIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N/c13-10-6-8(12(15)16)5-9(11(10)14)7-1-3-17-4-2-7/h5-7,12,17H,1-4H2.
What are the key properties of 4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine?
4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine has a molecular weight of 247.23 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-2,3-difluorophenyl]piperidine is sourced from PubChem (CID 84706137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).