5-fluoro-N-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-1-amine

C11H22FNO — CID 100644865

IUPAC5-fluoro-N-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-1-amine
SMILESCN(CCCCCF)C[C@@H]1CCCO1
InChIInChI=1S/C11H22FNO/c1-13(8-4-2-3-7-12)10-11-6-5-9-14-11/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyVUYCMMTUNLAMHB-NSHDSACASA-N
MW203.30 g/mol
LogP2.24
Rot. Bonds7

About 5-fluoro-N-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-1-amine

5-fluoro-N-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-1-amine (PubChem CID 100644865) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-1-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-1-amine
PubChem CID100644865
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name5-fluoro-N-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-1-amine
SMILESCN(CCCCCF)C[C@@H]1CCCO1
InChIInChI=1S/C11H22FNO/c1-13(8-4-2-3-7-12)10-11-6-5-9-14-11/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyVUYCMMTUNLAMHB-NSHDSACASA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.24
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

trimethyl-[[(2S,5S)-5-methyloxolan-2-yl]methyl]azanium
CID 10103411
Ammonium, (tetrahydrofurfuryl)trimethyl-, iodide
CID 40309
(2S,4R,5S)-4-Fluorotetrahydro-N,N,N,5-tetramethyl-2-furanmethanaminium
CID 195699
[(2S,5S)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 9990216
[(2R,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
CID 15930132
1-(2-Tetrahydrofurylmethyl)piperidine
CID 566526
Tetrahydrofurfuryl-N,N-dimethylamine
CID 3015510
4-Deoxy-4-fluoromuscarine
CID 195698
[(2R,5S)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10442649
[(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10495976
[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10591832
[(2R,4R,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
CID 14589730

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-1-amine?
The IUPAC name of 5-fluoro-N-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-1-amine (CID 100644865) is 5-fluoro-N-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-1-amine.
What is the SMILES notation for 5-fluoro-N-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-1-amine?
The canonical SMILES for 5-fluoro-N-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-1-amine is CN(CCCCCF)C[C@@H]1CCCO1.
What is the InChIKey of 5-fluoro-N-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-1-amine?
The InChIKey is VUYCMMTUNLAMHB-NSHDSACASA-N. The full InChI is InChI=1S/C11H22FNO/c1-13(8-4-2-3-7-12)10-11-6-5-9-14-11/h11H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of 5-fluoro-N-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-1-amine?
5-fluoro-N-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-1-amine has a molecular weight of 203.30 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-1-amine is sourced from PubChem (CID 100644865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).