(3S,4S)-4-fluorooxolan-3-amine

C4H8FNO — CID 105426966

IUPAC(3S,4S)-4-fluorooxolan-3-amine
SMILESN[C@H]1COC[C@H]1F
InChIInChI=1S/C4H8FNO/c5-3-1-7-2-4(3)6/h3-4H,1-2,6H2/t3-,4+/m1/s1
InChIKeyQEFNMXYQEIJFEA-DMTCNVIQSA-N
MW105.11 g/mol
LogP-0.32
Rot. Bonds

About (3S,4S)-4-fluorooxolan-3-amine

(3S,4S)-4-fluorooxolan-3-amine (PubChem CID 105426966) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is (3S,4S)-4-fluorooxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-fluorooxolan-3-amine
PubChem CID105426966
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC Name(3S,4S)-4-fluorooxolan-3-amine
SMILESN[C@H]1COC[C@H]1F
InChIInChI=1S/C4H8FNO/c5-3-1-7-2-4(3)6/h3-4H,1-2,6H2/t3-,4+/m1/s1
InChIKeyQEFNMXYQEIJFEA-DMTCNVIQSA-N
XLogP-0.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxolan-3-amine
CID 3365553
(3S)-oxolan-3-amine hydrochloride
CID 18664284
(3R,4R)-Tetrahydrofuran-3,4-diamine
CID 14171650
(R)-3-Aminotetrahydrofuran
CID 10996958
3-Aminotetrahydrofuran hydrochloride
CID 22239904
(3R)-3-Aminotetrahydrofuran hydrochloride
CID 46856371
trans-4-Fluorotetrahydrofuran-3-amine hydrochloride
CID 105428309
4,4-Difluorooxolan-3-amine hydrochloride
CID 146082364
(S)-3-Aminotetrahydrofuran
CID 14243168
rac-(3R,4R)-4-fluorooxolan-3-amine hydrochloride
CID 131637523
4-(Trifluoromethyl)oxolan-3-amine hydrochloride
CID 163321398
Tetrahydrofuran-3,4-diamine
CID 14171647

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluorooxolan-3-amine?
The IUPAC name of (3S,4S)-4-fluorooxolan-3-amine (CID 105426966) is (3S,4S)-4-fluorooxolan-3-amine.
What is the SMILES notation for (3S,4S)-4-fluorooxolan-3-amine?
The canonical SMILES for (3S,4S)-4-fluorooxolan-3-amine is N[C@H]1COC[C@H]1F.
What is the InChIKey of (3S,4S)-4-fluorooxolan-3-amine?
The InChIKey is QEFNMXYQEIJFEA-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H8FNO/c5-3-1-7-2-4(3)6/h3-4H,1-2,6H2/t3-,4+/m1/s1.
What are the key properties of (3S,4S)-4-fluorooxolan-3-amine?
(3S,4S)-4-fluorooxolan-3-amine has a molecular weight of 105.11 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-fluorooxolan-3-amine is sourced from PubChem (CID 105426966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).