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

C8H15FO2 — CID 129375611

IUPAC(2S)-2-fluoro-3-(oxan-4-yl)propan-1-ol
SMILESOC[C@@H](F)CC1CCOCC1
InChIInChI=1S/C8H15FO2/c9-8(6-10)5-7-1-3-11-4-2-7/h7-8,10H,1-6H2/t8-/m0/s1
InChIKeyCCUMDYGOBYYFIP-QMMMGPOBSA-N
MW162.20 g/mol
LogP1.13
Rot. Bonds3

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

(2S)-2-fluoro-3-(oxan-4-yl)propan-1-ol (PubChem CID 129375611) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is (2S)-2-fluoro-3-(oxan-4-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-fluoro-3-(oxan-4-yl)propan-1-ol
PubChem CID129375611
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name(2S)-2-fluoro-3-(oxan-4-yl)propan-1-ol
SMILESOC[C@@H](F)CC1CCOCC1
InChIInChI=1S/C8H15FO2/c9-8(6-10)5-7-1-3-11-4-2-7/h7-8,10H,1-6H2/t8-/m0/s1
InChIKeyCCUMDYGOBYYFIP-QMMMGPOBSA-N
XLogP1.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-3-(oxan-4-yl)propan-1-ol?
The IUPAC name of (2S)-2-fluoro-3-(oxan-4-yl)propan-1-ol (CID 129375611) is (2S)-2-fluoro-3-(oxan-4-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-fluoro-3-(oxan-4-yl)propan-1-ol?
The canonical SMILES for (2S)-2-fluoro-3-(oxan-4-yl)propan-1-ol is OC[C@@H](F)CC1CCOCC1.
What is the InChIKey of (2S)-2-fluoro-3-(oxan-4-yl)propan-1-ol?
The InChIKey is CCUMDYGOBYYFIP-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15FO2/c9-8(6-10)5-7-1-3-11-4-2-7/h7-8,10H,1-6H2/t8-/m0/s1.
What are the key properties of (2S)-2-fluoro-3-(oxan-4-yl)propan-1-ol?
(2S)-2-fluoro-3-(oxan-4-yl)propan-1-ol has a molecular weight of 162.20 g/mol, XLogP of 1.13, 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-ol is sourced from PubChem (CID 129375611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).