2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine

C13H16F3NO — CID 45237952

IUPAC2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine
SMILESFc1ccc(C2(CNCC(F)F)CCOC2)cc1
InChIInChI=1S/C13H16F3NO/c14-11-3-1-10(2-4-11)13(5-6-18-9-13)8-17-7-12(15)16/h1-4,12,17H,5-9H2
InChIKeyUAAQEVHNWHVYBZ-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.34
Rot. Bonds5

About 2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine

2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 45237952) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine
PubChem CID45237952
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine
SMILESFc1ccc(C2(CNCC(F)F)CCOC2)cc1
InChIInChI=1S/C13H16F3NO/c14-11-3-1-10(2-4-11)13(5-6-18-9-13)8-17-7-12(15)16/h1-4,12,17H,5-9H2
InChIKeyUAAQEVHNWHVYBZ-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

{3-[(4-Fluorophenyl)methyl]pyrrolidin-3-yl}methanol
CID 66057548
(3-Phenylpyrrolidin-3-yl)methanol
CID 68201267
2-[2-[[3-(4-Fluorophenyl)oxolan-3-yl]methylamino]ethoxy]ethanol
CID 45184475
Sdccgsbi-0115109.P001
CID 45234014
(3-(3-Fluorophenyl)pyrrolidin-3-yl)methanol
CID 105449001
rac-(3aR,6aR)-3a-phenyl-hexahydro-1H-furo[3,4-c]pyrrole hydrochloride
CID 132313733
3-(3,4-Difluorophenyl)-3-(1,3-dioxolan-2-ylmethyl)piperidine
CID 17791222
2-[3-(3-Trifluoromethyl-phenyl)-pyrrolidin-3-yl]-ethanol
CID 18333344
2-[3-(4-Trifluoromethyl-phenyl)-pyrrolidin-3-yl]-ethanol
CID 18333487
2-[3-(2,4-Difluorophenyl)pyrrolidin-3-yl]ethanol
CID 18333583
2-[3-(4-Fluoro-phenyl)-pyrrolidin-3-yl]-ethanol
CID 18464542
3-(3,4-Difluorophenyl)-3-(2-hydroxyethyl)pyrrolidine
CID 18464544

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine (CID 45237952) is 2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine is Fc1ccc(C2(CNCC(F)F)CCOC2)cc1.
What is the InChIKey of 2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is UAAQEVHNWHVYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-11-3-1-10(2-4-11)13(5-6-18-9-13)8-17-7-12(15)16/h1-4,12,17H,5-9H2.
What are the key properties of 2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine?
2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 259.27 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 45237952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).