(3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine

C18H36FN — CID 154977328

IUPAC(3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine
SMILESCCCCCCCC(CCCCCC)C1CNC[C@H]1F
InChIInChI=1S/C18H36FN/c1-3-5-7-9-11-13-16(12-10-8-6-4-2)17-14-20-15-18(17)19/h16-18,20H,3-15H2,1-2H3/t16?,17?,18-/m1/s1
InChIKeyAQOCVEBMYSPURH-DAWZGUTISA-N
MW285.49 g/mol
LogP5.49
Rot. Bonds12

About (3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine

(3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine (PubChem CID 154977328) has the molecular formula C18H36FN and a molecular weight of 285.49 g/mol. Its IUPAC name is (3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine
PubChem CID154977328
Molecular FormulaC18H36FN
Molecular Weight285.49 g/mol
Exact Mass285.28
IUPAC Name(3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine
SMILESCCCCCCCC(CCCCCC)C1CNC[C@H]1F
InChIInChI=1S/C18H36FN/c1-3-5-7-9-11-13-16(12-10-8-6-4-2)17-14-20-15-18(17)19/h16-18,20H,3-15H2,1-2H3/t16?,17?,18-/m1/s1
InChIKeyAQOCVEBMYSPURH-DAWZGUTISA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.49
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-hexylpyrrolidin-3-amine
CID 54189504
3-nonan-3-ylpyrrolidine
CID 146488434
hexadecan-8-ylcyclohexane
CID 91510029
tripentadecan-6-yl phosphite
CID 87207088
(1S,2R,4S)-2-henicosan-11-yl-1,4-dimethylcyclohexane
CID 98523786
undecan-5-ylcyclohexane
CID 524419
nonan-3-ylcyclopentane
CID 19893531
(3R,4R)-3,4-difluoro-1-pentadecan-8-ylpyrrolidine
CID 166714700
5-octan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211566
3-pentan-2-yloxyazetidine
CID 102981936
2-cyclopentyl-N-propylundecan-1-amine
CID 115926613
6-dodecan-5-yl-3,6-diazabicyclo[3.1.1]heptane
CID 167133560

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine?
The IUPAC name of (3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine (CID 154977328) is (3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine?
The canonical SMILES for (3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine is CCCCCCCC(CCCCCC)C1CNC[C@H]1F.
What is the InChIKey of (3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine?
The InChIKey is AQOCVEBMYSPURH-DAWZGUTISA-N. The full InChI is InChI=1S/C18H36FN/c1-3-5-7-9-11-13-16(12-10-8-6-4-2)17-14-20-15-18(17)19/h16-18,20H,3-15H2,1-2H3/t16?,17?,18-/m1/s1.
What are the key properties of (3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine?
(3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine has a molecular weight of 285.49 g/mol, XLogP of 5.49, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine is sourced from PubChem (CID 154977328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).