2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol

C14H18F3NO3 — CID 61048775

IUPAC2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOCC(NCC1CCCO1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3/c15-14(16,17)21-11-5-3-10(4-6-11)13(9-19)18-8-12-2-1-7-20-12/h3-6,12-13,18-19H,1-2,7-9H2
InChIKeyCKSYZAIUUSWZLR-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.39
Rot. Bonds6

About 2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol

2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 61048775) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID61048775
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOCC(NCC1CCCO1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3/c15-14(16,17)21-11-5-3-10(4-6-11)13(9-19)18-8-12-2-1-7-20-12/h3-6,12-13,18-19H,1-2,7-9H2
InChIKeyCKSYZAIUUSWZLR-UHFFFAOYSA-N
XLogP2.39
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61050567
2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61055835
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol
CID 61049777
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 61050569
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 79979937
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61049580
2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 114077509
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 40973251
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61047319
2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 114454315
2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 119672849
1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43309993

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol (CID 61048775) is 2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol is OCC(NCC1CCCO1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is CKSYZAIUUSWZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c15-14(16,17)21-11-5-3-10(4-6-11)13(9-19)18-8-12-2-1-7-20-12/h3-6,12-13,18-19H,1-2,7-9H2.
What are the key properties of 2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol?
2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 305.30 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 61048775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).