3-fluoro-3-(oxan-3-yl)butan-1-amine

C9H18FNO — CID 105436233

IUPAC3-fluoro-3-(oxan-3-yl)butan-1-amine
SMILESCC(F)(CCN)C1CCCOC1
InChIInChI=1S/C9H18FNO/c1-9(10,4-5-11)8-3-2-6-12-7-8/h8H,2-7,11H2,1H3
InChIKeyDHZGTJVASXZHSX-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.49
Rot. Bonds3

About 3-fluoro-3-(oxan-3-yl)butan-1-amine

3-fluoro-3-(oxan-3-yl)butan-1-amine (PubChem CID 105436233) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-fluoro-3-(oxan-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(oxan-3-yl)butan-1-amine
PubChem CID105436233
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-fluoro-3-(oxan-3-yl)butan-1-amine
SMILESCC(F)(CCN)C1CCCOC1
InChIInChI=1S/C9H18FNO/c1-9(10,4-5-11)8-3-2-6-12-7-8/h8H,2-7,11H2,1H3
InChIKeyDHZGTJVASXZHSX-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Oxan-4-yl)butan-2-amine
CID 62386259
2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)ethanamine
CID 5216448
2-(Oxan-4-yl)propan-1-amine
CID 55290013
rac-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine hydrochloride
CID 126836806
2-(2,6-Dimethyloxan-4-yl)-2-fluoroethanamine
CID 124157739
3-(2,2-Dimethyloxan-4-yl)-4-methylpentan-1-amine
CID 3741343
2-(2-ethyl-4-isopropyl-2-methyltetrahydro-2H-pyran-4-yl)ethanamine
CID 4371711
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62505704
2-Propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505737
2-Propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505889
2,3-Dimethyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 81010438
2-Fluoro-3-(oxan-4-yl)propan-1-amine
CID 84021214

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(oxan-3-yl)butan-1-amine?
The IUPAC name of 3-fluoro-3-(oxan-3-yl)butan-1-amine (CID 105436233) is 3-fluoro-3-(oxan-3-yl)butan-1-amine.
What is the SMILES notation for 3-fluoro-3-(oxan-3-yl)butan-1-amine?
The canonical SMILES for 3-fluoro-3-(oxan-3-yl)butan-1-amine is CC(F)(CCN)C1CCCOC1.
What is the InChIKey of 3-fluoro-3-(oxan-3-yl)butan-1-amine?
The InChIKey is DHZGTJVASXZHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(10,4-5-11)8-3-2-6-12-7-8/h8H,2-7,11H2,1H3.
What are the key properties of 3-fluoro-3-(oxan-3-yl)butan-1-amine?
3-fluoro-3-(oxan-3-yl)butan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(oxan-3-yl)butan-1-amine is sourced from PubChem (CID 105436233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).