3-fluoro-3-(oxan-3-yl)butan-2-amine

C9H18FNO — CID 105436231

IUPAC3-fluoro-3-(oxan-3-yl)butan-2-amine
SMILESCC(N)C(C)(F)C1CCCOC1
InChIInChI=1S/C9H18FNO/c1-7(11)9(2,10)8-4-3-5-12-6-8/h7-8H,3-6,11H2,1-2H3
InChIKeyLHIQVILNFIHBJW-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.49
Rot. Bonds2

About 3-fluoro-3-(oxan-3-yl)butan-2-amine

3-fluoro-3-(oxan-3-yl)butan-2-amine (PubChem CID 105436231) 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-2-amine.

Molecular Properties

Compound Name3-fluoro-3-(oxan-3-yl)butan-2-amine
PubChem CID105436231
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-fluoro-3-(oxan-3-yl)butan-2-amine
SMILESCC(N)C(C)(F)C1CCCOC1
InChIInChI=1S/C9H18FNO/c1-7(11)9(2,10)8-4-3-5-12-6-8/h7-8H,3-6,11H2,1-2H3
InChIKeyLHIQVILNFIHBJW-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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
5-Fluoro-2,4,6-trimethyloxan-3-amine
CID 59938457
1-(3-Fluoro-4-methyloxan-2-yl)ethanamine
CID 142537579
2-Alumanyl-4-fluoro-5-propyloxan-3-amine
CID 163485497
1-(Oxan-4-yl)propan-1-amine
CID 56828166
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
4,4,4-Trifluoro-1-(oxan-4-yl)butan-2-amine
CID 62604263
4-Methyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine
CID 64718517
4,4,4-Trifluoro-1-(oxan-4-yl)butan-1-amine
CID 65329702
5-Methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103147984
5-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-amine
CID 103148014

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(oxan-3-yl)butan-2-amine?
The IUPAC name of 3-fluoro-3-(oxan-3-yl)butan-2-amine (CID 105436231) is 3-fluoro-3-(oxan-3-yl)butan-2-amine.
What is the SMILES notation for 3-fluoro-3-(oxan-3-yl)butan-2-amine?
The canonical SMILES for 3-fluoro-3-(oxan-3-yl)butan-2-amine is CC(N)C(C)(F)C1CCCOC1.
What is the InChIKey of 3-fluoro-3-(oxan-3-yl)butan-2-amine?
The InChIKey is LHIQVILNFIHBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(11)9(2,10)8-4-3-5-12-6-8/h7-8H,3-6,11H2,1-2H3.
What are the key properties of 3-fluoro-3-(oxan-3-yl)butan-2-amine?
3-fluoro-3-(oxan-3-yl)butan-2-amine has a molecular weight of 175.25 g/mol, XLogP of 1.49, 2 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-2-amine is sourced from PubChem (CID 105436231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).