[4-(difluoromethyl)oxan-4-yl]methanol

C7H12F2O2 — CID 84765035

IUPAC[4-(difluoromethyl)oxan-4-yl]methanol
SMILESOCC1(C(F)F)CCOCC1
InChIInChI=1S/C7H12F2O2/c8-6(9)7(5-10)1-3-11-4-2-7/h6,10H,1-5H2
InChIKeyLJIYDJWFBHJFSU-UHFFFAOYSA-N
MW166.17 g/mol
LogP1.04
Rot. Bonds2

About [4-(difluoromethyl)oxan-4-yl]methanol

[4-(difluoromethyl)oxan-4-yl]methanol (PubChem CID 84765035) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is [4-(difluoromethyl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)oxan-4-yl]methanol
PubChem CID84765035
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name[4-(difluoromethyl)oxan-4-yl]methanol
SMILESOCC1(C(F)F)CCOCC1
InChIInChI=1S/C7H12F2O2/c8-6(9)7(5-10)1-3-11-4-2-7/h6,10H,1-5H2
InChIKeyLJIYDJWFBHJFSU-UHFFFAOYSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-(Hydroxymethyl)oxan-4-yl)methanol
CID 19858285
(4-Fluorooxan-4-yl)methanol
CID 56971676
(4-Methyloxan-4-yl)methanol
CID 59708470
(4-(Trifluoromethyl)oxan-4-yl)methanol
CID 121208295
(4-(Fluoromethyl)oxan-4-yl)methanol
CID 84763078
2,2,2-Trifluoro-1-(oxan-4-yl)ethan-1-ol
CID 62390560
2,2,2-Trifluoro-1-(4-methyloxan-4-yl)ethan-1-ol
CID 67402135
2,2,2-Trifluoro-1-(4-fluorooxan-4-yl)ethanol
CID 67402858
2,2-Difluoro-1-(oxan-4-yl)ethan-1-ol
CID 80605688
(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethan-1-ol
CID 89065986
2-Ethyl-4-methoxy-2-(trifluoromethyl)butan-1-ol
CID 172588364
[4-[2-(2,2,2-Trifluoroethoxy)ethyl]oxan-4-yl]methanol
CID 66024751

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)oxan-4-yl]methanol?
The IUPAC name of [4-(difluoromethyl)oxan-4-yl]methanol (CID 84765035) is [4-(difluoromethyl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(difluoromethyl)oxan-4-yl]methanol?
The canonical SMILES for [4-(difluoromethyl)oxan-4-yl]methanol is OCC1(C(F)F)CCOCC1.
What is the InChIKey of [4-(difluoromethyl)oxan-4-yl]methanol?
The InChIKey is LJIYDJWFBHJFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O2/c8-6(9)7(5-10)1-3-11-4-2-7/h6,10H,1-5H2.
What are the key properties of [4-(difluoromethyl)oxan-4-yl]methanol?
[4-(difluoromethyl)oxan-4-yl]methanol has a molecular weight of 166.17 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)oxan-4-yl]methanol is sourced from PubChem (CID 84765035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).