(3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine

C12H24FNO — CID 148708034

IUPAC(3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine
SMILESCC(C)C(C)OCCCN1CC[C@H](F)C1
InChIInChI=1S/C12H24FNO/c1-10(2)11(3)15-8-4-6-14-7-5-12(13)9-14/h10-12H,4-9H2,1-3H3/t11?,12-/m0/s1
InChIKeyNWRCTLHPTBZARY-KIYNQFGBSA-N
MW217.33 g/mol
LogP2.48
Rot. Bonds6

About (3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine

(3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine (PubChem CID 148708034) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is (3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine
PubChem CID148708034
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name(3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine
SMILESCC(C)C(C)OCCCN1CC[C@H](F)C1
InChIInChI=1S/C12H24FNO/c1-10(2)11(3)15-8-4-6-14-7-5-12(13)9-14/h10-12H,4-9H2,1-3H3/t11?,12-/m0/s1
InChIKeyNWRCTLHPTBZARY-KIYNQFGBSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
CID 20742857
3-Fluoro-1-(3-methoxypropyl)pyrrolidine
CID 89037355
3-(Ethoxymethyl)-3-fluoro-1-methylpyrrolidine
CID 90165373
3-Fluoro-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine
CID 122547217
3-Fluoro-1-methyl-4-propan-2-yloxypyrrolidine
CID 122547246
(3R)-3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
CID 130262104
(3S)-3-fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
CID 130262105
(3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine
CID 130270256
(3R)-3-fluoro-1-(3-methoxypropyl)pyrrolidine
CID 130270427
1-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine
CID 130418410
1-[(1R)-1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine
CID 130418419
(3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
CID 132226796

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine?
The IUPAC name of (3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine (CID 148708034) is (3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine?
The canonical SMILES for (3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine is CC(C)C(C)OCCCN1CC[C@H](F)C1.
What is the InChIKey of (3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine?
The InChIKey is NWRCTLHPTBZARY-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H24FNO/c1-10(2)11(3)15-8-4-6-14-7-5-12(13)9-14/h10-12H,4-9H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of (3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine?
(3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine has a molecular weight of 217.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine is sourced from PubChem (CID 148708034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).