(2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine

C8H16FNO — CID 129375609

IUPAC(2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine
SMILESNC[C@@H](F)CC1CCOCC1
InChIInChI=1S/C8H16FNO/c9-8(6-10)5-7-1-3-11-4-2-7/h7-8H,1-6,10H2/t8-/m0/s1
InChIKeyWBRSMIYCTZHGKZ-QMMMGPOBSA-N
MW161.22 g/mol
LogP1.10
Rot. Bonds3

About (2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine

(2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine (PubChem CID 129375609) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name(2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine
PubChem CID129375609
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine
SMILESNC[C@@H](F)CC1CCOCC1
InChIInChI=1S/C8H16FNO/c9-8(6-10)5-7-1-3-11-4-2-7/h7-8H,1-6,10H2/t8-/m0/s1
InChIKeyWBRSMIYCTZHGKZ-QMMMGPOBSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

C-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-methylamine
CID 13202183
2-(Oxan-3-yl)ethan-1-amine
CID 19101440
3-(Oxan-4-yl)propan-1-amine
CID 22272945
4-(Tetrahydro-2h-pyran-4-yl)butan-2-amine
CID 62386259
1-{7-Oxaspiro[3.5]nonan-2-yl}methanamine
CID 65006071
(2,6-Dimethyloxan-4-yl)methanamine
CID 81852973
2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)ethanamine
CID 5216448
1-(Oxan-4-yl)propan-2-amine
CID 21054632
2-(2-Methyloxan-4-yl)ethan-1-amine
CID 64137442
(2R)-2-fluoro-3-(oxan-4-yl)propan-1-amine
CID 129375610
2-(2,6-Dimethyloxan-4-yl)-2-fluoroethanamine
CID 124157739
3-[2-(2-Fluoroethoxy)ethyl]piperidine
CID 56829868

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine?
The IUPAC name of (2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine (CID 129375609) is (2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for (2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine?
The canonical SMILES for (2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine is NC[C@@H](F)CC1CCOCC1.
What is the InChIKey of (2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine?
The InChIKey is WBRSMIYCTZHGKZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16FNO/c9-8(6-10)5-7-1-3-11-4-2-7/h7-8H,1-6,10H2/t8-/m0/s1.
What are the key properties of (2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine?
(2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine has a molecular weight of 161.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 129375609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).