[(3S)-3-fluorooxan-3-yl]methanamine

C6H12FNO — CID 168963616

IUPAC[(3S)-3-fluorooxan-3-yl]methanamine
SMILESNC[C@@]1(F)CCCOC1
InChIInChI=1S/C6H12FNO/c7-6(4-8)2-1-3-9-5-6/h1-5,8H2/t6-/m0/s1
InChIKeyDDQFVARZSJYHKS-LURJTMIESA-N
MW133.17 g/mol
LogP0.46
Rot. Bonds1

About [(3S)-3-fluorooxan-3-yl]methanamine

[(3S)-3-fluorooxan-3-yl]methanamine (PubChem CID 168963616) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is [(3S)-3-fluorooxan-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-3-fluorooxan-3-yl]methanamine
PubChem CID168963616
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name[(3S)-3-fluorooxan-3-yl]methanamine
SMILESNC[C@@]1(F)CCCOC1
InChIInChI=1S/C6H12FNO/c7-6(4-8)2-1-3-9-5-6/h1-5,8H2/t6-/m0/s1
InChIKeyDDQFVARZSJYHKS-LURJTMIESA-N
XLogP0.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxan-3-ylmethanamine
CID 16761713
(Oxan-3-yl)methanamine hydrochloride
CID 22648120
(3-Methyloxan-3-yl)methanamine
CID 63010634
(4,4-Difluorooxan-3-yl)methanamine hydrochloride
CID 145867097
2,2-Difluoro-2-(tetrahydro-2H-pyran-4-yl)ethan-1-amine
CID 57429865
(3-Fluorotetrahydro-2H-pyran-3-yl)methanamine
CID 84020606
(4,4-Difluorooxan-3-yl)methanamine
CID 84763241
[4-(Trifluoromethyl)oxan-3-yl]methanamine
CID 84022631
2-(4-Fluorotetrahydro-2H-pyran-4-yl)ethan-1-amine
CID 84731219
1-(3-fluorooxan-3-yl)-N-methylmethanamine
CID 84731223
(4-Fluorooxan-3-yl)methanamine
CID 84762369
2-(3-Fluorooxan-4-yl)ethanamine
CID 84763026

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-fluorooxan-3-yl]methanamine?
The IUPAC name of [(3S)-3-fluorooxan-3-yl]methanamine (CID 168963616) is [(3S)-3-fluorooxan-3-yl]methanamine.
What is the SMILES notation for [(3S)-3-fluorooxan-3-yl]methanamine?
The canonical SMILES for [(3S)-3-fluorooxan-3-yl]methanamine is NC[C@@]1(F)CCCOC1.
What is the InChIKey of [(3S)-3-fluorooxan-3-yl]methanamine?
The InChIKey is DDQFVARZSJYHKS-LURJTMIESA-N. The full InChI is InChI=1S/C6H12FNO/c7-6(4-8)2-1-3-9-5-6/h1-5,8H2/t6-/m0/s1.
What are the key properties of [(3S)-3-fluorooxan-3-yl]methanamine?
[(3S)-3-fluorooxan-3-yl]methanamine has a molecular weight of 133.17 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-fluorooxan-3-yl]methanamine is sourced from PubChem (CID 168963616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).