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

C8H15FO2 — CID 105431923

IUPAC1-fluoro-1-(oxan-3-yl)propan-2-ol
SMILESCC(O)C(F)C1CCCOC1
InChIInChI=1S/C8H15FO2/c1-6(10)8(9)7-3-2-4-11-5-7/h6-8,10H,2-5H2,1H3
InChIKeySKIPBBRMEHNKLR-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.13
Rot. Bonds2

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

1-fluoro-1-(oxan-3-yl)propan-2-ol (PubChem CID 105431923) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1-fluoro-1-(oxan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-1-(oxan-3-yl)propan-2-ol
PubChem CID105431923
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name1-fluoro-1-(oxan-3-yl)propan-2-ol
SMILESCC(O)C(F)C1CCCOC1
InChIInChI=1S/C8H15FO2/c1-6(10)8(9)7-3-2-4-11-5-7/h6-8,10H,2-5H2,1H3
InChIKeySKIPBBRMEHNKLR-UHFFFAOYSA-N
XLogP1.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

4-methyl-3-(oxan-3-yl)pentan-2-ol
CID 107137352
4-(oxan-3-yl)pentan-2-ol
CID 107137854
3-(oxan-3-yl)pentan-2-ol
CID 107137335
ethane;3-propan-2-yloxane
CID 143985480
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
(3,3-difluorocyclobutyl)-(oxan-3-yl)methanol
CID 131137680
2-(3-hydroxybutan-2-yloxy)-2-(oxan-3-yl)acetic acid
CID 103377892
1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol
CID 107136105
(2-methylcyclopropyl)-(oxan-3-yl)methanol
CID 107136124
(1-methylcyclopropyl)-(oxan-3-yl)methanol
CID 107136175
2-(dimethylamino)-1-(oxan-3-yl)ethanol
CID 107136154
2-amino-1-(oxan-3-yl)butan-1-ol
CID 63737699

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(oxan-3-yl)propan-2-ol?
The IUPAC name of 1-fluoro-1-(oxan-3-yl)propan-2-ol (CID 105431923) is 1-fluoro-1-(oxan-3-yl)propan-2-ol.
What is the SMILES notation for 1-fluoro-1-(oxan-3-yl)propan-2-ol?
The canonical SMILES for 1-fluoro-1-(oxan-3-yl)propan-2-ol is CC(O)C(F)C1CCCOC1.
What is the InChIKey of 1-fluoro-1-(oxan-3-yl)propan-2-ol?
The InChIKey is SKIPBBRMEHNKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c1-6(10)8(9)7-3-2-4-11-5-7/h6-8,10H,2-5H2,1H3.
What are the key properties of 1-fluoro-1-(oxan-3-yl)propan-2-ol?
1-fluoro-1-(oxan-3-yl)propan-2-ol has a molecular weight of 162.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(oxan-3-yl)propan-2-ol is sourced from PubChem (CID 105431923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).