(3,3-difluorocyclobutyl)-(oxan-3-yl)methanol

C10H16F2O2 — CID 131137680

IUPAC(3,3-difluorocyclobutyl)-(oxan-3-yl)methanol
SMILESOC(C1CCCOC1)C1CC(F)(F)C1
InChIInChI=1S/C10H16F2O2/c11-10(12)4-8(5-10)9(13)7-2-1-3-14-6-7/h7-9,13H,1-6H2
InChIKeyYUCRMOGOHCONHK-UHFFFAOYSA-N
MW206.23 g/mol
LogP1.82
Rot. Bonds2

About (3,3-difluorocyclobutyl)-(oxan-3-yl)methanol

(3,3-difluorocyclobutyl)-(oxan-3-yl)methanol (PubChem CID 131137680) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-(oxan-3-yl)methanol
PubChem CID131137680
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name(3,3-difluorocyclobutyl)-(oxan-3-yl)methanol
SMILESOC(C1CCCOC1)C1CC(F)(F)C1
InChIInChI=1S/C10H16F2O2/c11-10(12)4-8(5-10)9(13)7-2-1-3-14-6-7/h7-9,13H,1-6H2
InChIKeyYUCRMOGOHCONHK-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylcyclopropyl)-(oxan-3-yl)methanol
CID 107136124
1-fluoro-1-(oxan-3-yl)propan-2-ol
CID 105431923
oxan-3-yl(piperidin-3-yl)methanol
CID 107135650
ethane;3-propan-2-yloxane
CID 143985480
oxan-3-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622044
4-methyl-3-(oxan-3-yl)pentan-2-ol
CID 107137352
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
(2-methyloxolan-2-yl)-(oxan-3-yl)methanol
CID 107136169
5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol
CID 79913378
4-(oxan-3-yl)pentan-2-ol
CID 107137854
1-[hydroxy(oxan-3-yl)methyl]cyclopentan-1-ol
CID 107136247
(1-methylcyclopropyl)-(oxan-3-yl)methanol
CID 107136175

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-(oxan-3-yl)methanol?
The IUPAC name of (3,3-difluorocyclobutyl)-(oxan-3-yl)methanol (CID 131137680) is (3,3-difluorocyclobutyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (3,3-difluorocyclobutyl)-(oxan-3-yl)methanol?
The canonical SMILES for (3,3-difluorocyclobutyl)-(oxan-3-yl)methanol is OC(C1CCCOC1)C1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-(oxan-3-yl)methanol?
The InChIKey is YUCRMOGOHCONHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O2/c11-10(12)4-8(5-10)9(13)7-2-1-3-14-6-7/h7-9,13H,1-6H2.
What are the key properties of (3,3-difluorocyclobutyl)-(oxan-3-yl)methanol?
(3,3-difluorocyclobutyl)-(oxan-3-yl)methanol has a molecular weight of 206.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 131137680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).