1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol

C9H13F3O2 — CID 102649792

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C9H13F3O2/c10-9(11,12)5-4-7(13)8-3-1-2-6-14-8/h3,7,13H,1-2,4-6H2
InChIKeyYCROBCAHWCHNTH-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.38
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol

1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol (PubChem CID 102649792) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol
PubChem CID102649792
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C9H13F3O2/c10-9(11,12)5-4-7(13)8-3-1-2-6-14-8/h3,7,13H,1-2,4-6H2
InChIKeyYCROBCAHWCHNTH-UHFFFAOYSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3R)-3-fluoro-2-methyl-3,4-dihydro-2H-pyran-6-yl]methanol
CID 60076837
1-[2-(Trifluoromethyl)-2,3-dihydrofuran-5-yl]hex-5-en-1-ol
CID 68072895
(Z)-2,2-difluoro-4-propan-2-yloxyhex-4-en-3-ol;ethane;(Z)-4-ethoxy-2-fluorohept-4-en-3-ol
CID 142810074
ethane;(Z)-4-ethoxy-2,2-difluorohex-4-en-3-ol;(Z)-2-fluoro-4-methoxyhept-4-en-3-ol
CID 142883218
(Z)-2-fluoro-4-prop-1-en-2-yloxyhex-4-en-3-ol
CID 142883654
1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
CID 102649731
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-ol
CID 102649809
1-(2,3-Dihydrofuran-5-yl)-4,4,4-trifluorobutan-1-ol
CID 102653956
1-(2,3-Dihydrofuran-5-yl)-3,3,3-trifluoropropan-1-ol
CID 102653975
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanol
CID 102654846
(1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
CID 102654858
(1R)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
CID 102654860

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol (CID 102649792) is 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol is OC(CCC(F)(F)F)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is YCROBCAHWCHNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c10-9(11,12)5-4-7(13)8-3-1-2-6-14-8/h3,7,13H,1-2,4-6H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol?
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 210.19 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 102649792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).