[3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine

C10H12F3NO — CID 164885137

IUPAC[3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine
SMILESCC(F)(F)COc1cc(F)cc(CN)c1
InChIInChI=1S/C10H12F3NO/c1-10(12,13)6-15-9-3-7(5-14)2-8(11)4-9/h2-4H,5-6,14H2,1H3
InChIKeyYRQOADFEKUVUNA-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.32
Rot. Bonds4

About [3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine

[3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine (PubChem CID 164885137) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is [3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine
PubChem CID164885137
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name[3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine
SMILESCC(F)(F)COc1cc(F)cc(CN)c1
InChIInChI=1S/C10H12F3NO/c1-10(12,13)6-15-9-3-7(5-14)2-8(11)4-9/h2-4H,5-6,14H2,1H3
InChIKeyYRQOADFEKUVUNA-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine
CID 106704805
[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
CID 102814557
[3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine
CID 116788616
3-(3,5-difluorophenoxy)-2,2-dimethylpropan-1-ol
CID 81217572
[3-(aminomethyl)-5-fluorophenoxy]boronic acid
CID 151788480
[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine
CID 102939558
[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine
CID 102814455
1-[3-(aminomethyl)-5-bromophenoxy]-N,N,2-trimethylpropan-2-amine
CID 102814709
[4-(2-fluoro-2-methylpropoxy)phenyl]methanamine
CID 84667770
[3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine
CID 102814566
[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 106531191
[3-[(4-bromo-3,5-dimethylphenoxy)methyl]-5-fluorophenyl]methanamine
CID 107722883

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine?
The IUPAC name of [3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine (CID 164885137) is [3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine.
What is the SMILES notation for [3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine?
The canonical SMILES for [3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine is CC(F)(F)COc1cc(F)cc(CN)c1.
What is the InChIKey of [3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine?
The InChIKey is YRQOADFEKUVUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-10(12,13)6-15-9-3-7(5-14)2-8(11)4-9/h2-4H,5-6,14H2,1H3.
What are the key properties of [3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine?
[3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine has a molecular weight of 219.21 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine is sourced from PubChem (CID 164885137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).