(3R,4S)-4-fluoro-N-heptyloxolan-3-amine

C11H22FNO — CID 126847897

IUPAC(3R,4S)-4-fluoro-N-heptyloxolan-3-amine
SMILESCCCCCCCN[C@@H]1COC[C@H]1F
InChIInChI=1S/C11H22FNO/c1-2-3-4-5-6-7-13-11-9-14-8-10(11)12/h10-11,13H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyYCKRKVKSTYACLC-GHMZBOCLSA-N
MW203.30 g/mol
LogP2.28
Rot. Bonds7

About (3R,4S)-4-fluoro-N-heptyloxolan-3-amine

(3R,4S)-4-fluoro-N-heptyloxolan-3-amine (PubChem CID 126847897) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is (3R,4S)-4-fluoro-N-heptyloxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-fluoro-N-heptyloxolan-3-amine
PubChem CID126847897
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name(3R,4S)-4-fluoro-N-heptyloxolan-3-amine
SMILESCCCCCCCN[C@@H]1COC[C@H]1F
InChIInChI=1S/C11H22FNO/c1-2-3-4-5-6-7-13-11-9-14-8-10(11)12/h10-11,13H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyYCKRKVKSTYACLC-GHMZBOCLSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-fluoro-N-heptyloxolan-3-amine?
The IUPAC name of (3R,4S)-4-fluoro-N-heptyloxolan-3-amine (CID 126847897) is (3R,4S)-4-fluoro-N-heptyloxolan-3-amine.
What is the SMILES notation for (3R,4S)-4-fluoro-N-heptyloxolan-3-amine?
The canonical SMILES for (3R,4S)-4-fluoro-N-heptyloxolan-3-amine is CCCCCCCN[C@@H]1COC[C@H]1F.
What is the InChIKey of (3R,4S)-4-fluoro-N-heptyloxolan-3-amine?
The InChIKey is YCKRKVKSTYACLC-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H22FNO/c1-2-3-4-5-6-7-13-11-9-14-8-10(11)12/h10-11,13H,2-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of (3R,4S)-4-fluoro-N-heptyloxolan-3-amine?
(3R,4S)-4-fluoro-N-heptyloxolan-3-amine has a molecular weight of 203.30 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-fluoro-N-heptyloxolan-3-amine is sourced from PubChem (CID 126847897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).