(6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde

C14H16F3NO — CID 174890713

IUPAC(6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde
SMILESC[C@@]1(c2ccccc2F)CCC(F)(CF)C(C=O)N1
InChIInChI=1S/C14H16F3NO/c1-13(10-4-2-3-5-11(10)16)6-7-14(17,9-15)12(8-19)18-13/h2-5,8,12,18H,6-7,9H2,1H3/t12?,13-,14?/m0/s1
InChIKeyNRZMUCUGQQDBQI-MOKVOYLWSA-N
MW271.28 g/mol
LogP2.67
Rot. Bonds3

About (6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde

(6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde (PubChem CID 174890713) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is (6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde.

Molecular Properties

Compound Name(6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde
PubChem CID174890713
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde
SMILESC[C@@]1(c2ccccc2F)CCC(F)(CF)C(C=O)N1
InChIInChI=1S/C14H16F3NO/c1-13(10-4-2-3-5-11(10)16)6-7-14(17,9-15)12(8-19)18-13/h2-5,8,12,18H,6-7,9H2,1H3/t12?,13-,14?/m0/s1
InChIKeyNRZMUCUGQQDBQI-MOKVOYLWSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 105446893
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8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromene-4-carbaldehyde
CID 174634370
4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine
CID 115034996
1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene
CID 83693048
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]formamide
CID 110477207
2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine
CID 117301634
cis-(2R,6S)-2-(2,3-difluorophenyl)-6-hydroxy-6-methyl-2-(methylamino)cyclohexan-1-one
CID 169100283
1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene
CID 22420584
2-(2,3-difluorophenyl)-6-hydroxy-6-methyl-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 169100300
N-[1-(2-fluorophenyl)cyclopropyl]propanamide
CID 110477459

Frequently Asked Questions

What is the IUPAC name of (6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde?
The IUPAC name of (6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde (CID 174890713) is (6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde.
What is the SMILES notation for (6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde?
The canonical SMILES for (6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde is C[C@@]1(c2ccccc2F)CCC(F)(CF)C(C=O)N1.
What is the InChIKey of (6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde?
The InChIKey is NRZMUCUGQQDBQI-MOKVOYLWSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-13(10-4-2-3-5-11(10)16)6-7-14(17,9-15)12(8-19)18-13/h2-5,8,12,18H,6-7,9H2,1H3/t12?,13-,14?/m0/s1.
What are the key properties of (6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde?
(6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde has a molecular weight of 271.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-fluoro-3-(fluoromethyl)-6-(2-fluorophenyl)-6-methylpiperidine-2-carbaldehyde is sourced from PubChem (CID 174890713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).