1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol

C14H18F2O2 — CID 115527745

IUPAC1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
SMILESOC(CC1CCOCC1)c1cccc(C(F)F)c1
InChIInChI=1S/C14H18F2O2/c15-14(16)12-3-1-2-11(9-12)13(17)8-10-4-6-18-7-5-10/h1-3,9-10,13-14,17H,4-8H2
InChIKeyDRFRMLXMEGMKPY-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.47
Rot. Bonds4

About 1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol

1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol (PubChem CID 115527745) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
PubChem CID115527745
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
SMILESOC(CC1CCOCC1)c1cccc(C(F)F)c1
InChIInChI=1S/C14H18F2O2/c15-14(16)12-3-1-2-11(9-12)13(17)8-10-4-6-18-7-5-10/h1-3,9-10,13-14,17H,4-8H2
InChIKeyDRFRMLXMEGMKPY-UHFFFAOYSA-N
XLogP3.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol
CID 115789651
1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol
CID 75515421
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115789572
1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol
CID 115789579
2-cyclopentyl-1-[4-(difluoromethyl)phenyl]ethanol
CID 115525070
1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol
CID 65150488
1-naphthalen-2-yl-2-(oxolan-3-yl)ethanol
CID 113362057
1-[3-(difluoromethyl)phenyl]but-3-en-1-ol
CID 115527625
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
2-(oxan-4-yl)-1-pyrimidin-2-ylethanol
CID 62608022
1-(4-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986410
1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131637584

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol (CID 115527745) is 1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol is OC(CC1CCOCC1)c1cccc(C(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol?
The InChIKey is DRFRMLXMEGMKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O2/c15-14(16)12-3-1-2-11(9-12)13(17)8-10-4-6-18-7-5-10/h1-3,9-10,13-14,17H,4-8H2.
What are the key properties of 1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol?
1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol has a molecular weight of 256.29 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 115527745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).