(2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol

C9H16FNO2 — CID 170083577

IUPAC(2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol
SMILESOC[C@@H](F)CN1C2CCC1COC2
InChIInChI=1S/C9H16FNO2/c10-7(4-12)3-11-8-1-2-9(11)6-13-5-8/h7-9,12H,1-6H2/t7-,8?,9?/m0/s1
InChIKeyHWNUAHXANLVASM-UEJVZZJDSA-N
MW189.23 g/mol
LogP0.18
Rot. Bonds3

About (2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol

(2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol (PubChem CID 170083577) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol
PubChem CID170083577
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol
SMILESOC[C@@H](F)CN1C2CCC1COC2
InChIInChI=1S/C9H16FNO2/c10-7(4-12)3-11-8-1-2-9(11)6-13-5-8/h7-9,12H,1-6H2/t7-,8?,9?/m0/s1
InChIKeyHWNUAHXANLVASM-UEJVZZJDSA-N
XLogP0.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol with MolForge

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Related Compounds

[1-(3-Fluoropropyl)-5-(methoxymethyl)pyrrolidin-2-yl]methanol
CID 163431768
[(6S,8aS)-3,3-difluoro-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-6-yl]methanol
CID 165405634
[5-(3-Fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol
CID 169228003
8-(2-Fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 170082067
3,3,3-Trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol
CID 170082286
8-[(2S)-2-fluoro-3-methoxypropyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083005
8-(2-Fluoro-2-methyl-3-propan-2-yloxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083155
8-[(2R)-2-fluoro-3-methoxy-2-methylpropyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083176
8-(2-Fluoro-3-methoxy-2-methylpropyl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083755
8-[(2S)-3,3,3-trifluoro-2-(methoxymethyl)propyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 170083822
(2R)-3,3,3-trifluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)propan-1-ol
CID 170083823
8-[(2R)-2-fluoro-3-methoxypropyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 170107635

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol?
The IUPAC name of (2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol (CID 170083577) is (2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol?
The canonical SMILES for (2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol is OC[C@@H](F)CN1C2CCC1COC2.
What is the InChIKey of (2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol?
The InChIKey is HWNUAHXANLVASM-UEJVZZJDSA-N. The full InChI is InChI=1S/C9H16FNO2/c10-7(4-12)3-11-8-1-2-9(11)6-13-5-8/h7-9,12H,1-6H2/t7-,8?,9?/m0/s1.
What are the key properties of (2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol?
(2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol has a molecular weight of 189.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol is sourced from PubChem (CID 170083577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).