(3R,4S)-4-fluoro-N-(3-propan-2-yloxypropyl)oxolan-3-amine

C10H20FNO2 — CID 126847883

IUPAC(3R,4S)-4-fluoro-N-(3-propan-2-yloxypropyl)oxolan-3-amine
SMILESCC(C)OCCCN[C@@H]1COC[C@H]1F
InChIInChI=1S/C10H20FNO2/c1-8(2)14-5-3-4-12-10-7-13-6-9(10)11/h8-10,12H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyCWCOVUWKYVMYNW-NXEZZACHSA-N
MW205.27 g/mol
LogP1.13
Rot. Bonds6

About (3R,4S)-4-fluoro-N-(3-propan-2-yloxypropyl)oxolan-3-amine

(3R,4S)-4-fluoro-N-(3-propan-2-yloxypropyl)oxolan-3-amine (PubChem CID 126847883) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is (3R,4S)-4-fluoro-N-(3-propan-2-yloxypropyl)oxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-fluoro-N-(3-propan-2-yloxypropyl)oxolan-3-amine
PubChem CID126847883
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Name(3R,4S)-4-fluoro-N-(3-propan-2-yloxypropyl)oxolan-3-amine
SMILESCC(C)OCCCN[C@@H]1COC[C@H]1F
InChIInChI=1S/C10H20FNO2/c1-8(2)14-5-3-4-12-10-7-13-6-9(10)11/h8-10,12H,3-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyCWCOVUWKYVMYNW-NXEZZACHSA-N
XLogP1.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-propan-2-yloxypropyl)oxolan-3-amine?
The IUPAC name of (3R,4S)-4-fluoro-N-(3-propan-2-yloxypropyl)oxolan-3-amine (CID 126847883) is (3R,4S)-4-fluoro-N-(3-propan-2-yloxypropyl)oxolan-3-amine.
What is the SMILES notation for (3R,4S)-4-fluoro-N-(3-propan-2-yloxypropyl)oxolan-3-amine?
The canonical SMILES for (3R,4S)-4-fluoro-N-(3-propan-2-yloxypropyl)oxolan-3-amine is CC(C)OCCCN[C@@H]1COC[C@H]1F.
What is the InChIKey of (3R,4S)-4-fluoro-N-(3-propan-2-yloxypropyl)oxolan-3-amine?
The InChIKey is CWCOVUWKYVMYNW-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20FNO2/c1-8(2)14-5-3-4-12-10-7-13-6-9(10)11/h8-10,12H,3-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (3R,4S)-4-fluoro-N-(3-propan-2-yloxypropyl)oxolan-3-amine?
(3R,4S)-4-fluoro-N-(3-propan-2-yloxypropyl)oxolan-3-amine has a molecular weight of 205.27 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-fluoro-N-(3-propan-2-yloxypropyl)oxolan-3-amine is sourced from PubChem (CID 126847883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).