4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine

C14H19F2N — CID 84701340

IUPAC4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine
SMILESCCc1ccccc1CC1CCNCC1(F)F
InChIInChI=1S/C14H19F2N/c1-2-11-5-3-4-6-12(11)9-13-7-8-17-10-14(13,15)16/h3-6,13,17H,2,7-10H2,1H3
InChIKeyHRIRXLSSOXZFTI-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.04
Rot. Bonds3

About 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine

4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine (PubChem CID 84701340) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine.

Molecular Properties

Compound Name4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine
PubChem CID84701340
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine
SMILESCCc1ccccc1CC1CCNCC1(F)F
InChIInChI=1S/C14H19F2N/c1-2-11-5-3-4-6-12(11)9-13-7-8-17-10-14(13,15)16/h3-6,13,17H,2,7-10H2,1H3
InChIKeyHRIRXLSSOXZFTI-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine?
The IUPAC name of 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine (CID 84701340) is 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine.
What is the SMILES notation for 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine?
The canonical SMILES for 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine is CCc1ccccc1CC1CCNCC1(F)F.
What is the InChIKey of 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine?
The InChIKey is HRIRXLSSOXZFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-2-11-5-3-4-6-12(11)9-13-7-8-17-10-14(13,15)16/h3-6,13,17H,2,7-10H2,1H3.
What are the key properties of 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine?
4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine has a molecular weight of 239.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine is sourced from PubChem (CID 84701340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).