(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol

C12H14F2O2 — CID 115799765

IUPAC(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol
SMILESCC1CCOC1C(O)c1c(F)cccc1F
InChIInChI=1S/C12H14F2O2/c1-7-5-6-16-12(7)11(15)10-8(13)3-2-4-9(10)14/h2-4,7,11-12,15H,5-6H2,1H3
InChIKeyXPIHFRFTQJHFGW-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.42
Rot. Bonds2

About (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol

(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol (PubChem CID 115799765) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol
PubChem CID115799765
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol
SMILESCC1CCOC1C(O)c1c(F)cccc1F
InChIInChI=1S/C12H14F2O2/c1-7-5-6-16-12(7)11(15)10-8(13)3-2-4-9(10)14/h2-4,7,11-12,15H,5-6H2,1H3
InChIKeyXPIHFRFTQJHFGW-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115859971
1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 114275397
(5-bromo-2-fluorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115820768
(3-methyloxolan-2-yl)-(2-methylphenyl)methanol
CID 114979278
(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115793140
(5-fluoro-3-pyridinyl)-(3-methyloxolan-2-yl)methanol
CID 114981175
3,4-dihydro-2H-chromen-8-yl-(3-methyloxolan-2-yl)methanol
CID 115837861
5-[hydroxy-(3-methyloxolan-2-yl)methyl]furan-2-carboxylic acid
CID 106947198
[2-(2-chloro-3-fluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine
CID 105332898
(2-fluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115781704
(2,6-difluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 79664477
2-(2-methoxyphenyl)-1-(3-methyloxolan-2-yl)ethanol
CID 115778550

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol?
The IUPAC name of (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol (CID 115799765) is (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol.
What is the SMILES notation for (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol?
The canonical SMILES for (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol is CC1CCOC1C(O)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol?
The InChIKey is XPIHFRFTQJHFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-7-5-6-16-12(7)11(15)10-8(13)3-2-4-9(10)14/h2-4,7,11-12,15H,5-6H2,1H3.
What are the key properties of (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol?
(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol has a molecular weight of 228.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol is sourced from PubChem (CID 115799765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).