2,2-difluoro-1-phenylmethoxybutan-1-amine

C11H15F2NO — CID 54533469

IUPAC2,2-difluoro-1-phenylmethoxybutan-1-amine
SMILESCCC(F)(F)C(N)OCc1ccccc1
InChIInChI=1S/C11H15F2NO/c1-2-11(12,13)10(14)15-8-9-6-4-3-5-7-9/h3-7,10H,2,8,14H2,1H3
InChIKeyYYDZSQLDWJMWFK-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.53
Rot. Bonds5

About 2,2-difluoro-1-phenylmethoxybutan-1-amine

2,2-difluoro-1-phenylmethoxybutan-1-amine (PubChem CID 54533469) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2,2-difluoro-1-phenylmethoxybutan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-1-phenylmethoxybutan-1-amine
PubChem CID54533469
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2,2-difluoro-1-phenylmethoxybutan-1-amine
SMILESCCC(F)(F)C(N)OCc1ccccc1
InChIInChI=1S/C11H15F2NO/c1-2-11(12,13)10(14)15-8-9-6-4-3-5-7-9/h3-7,10H,2,8,14H2,1H3
InChIKeyYYDZSQLDWJMWFK-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate
CID 102059602
(2-ethyl-3,3-difluoropentyl)benzene
CID 171834492
butan-2-yloxymethylbenzene;ethane
CID 161043537
1,1,1-trifluoro-5-phenylmethoxypentan-2-amine
CID 12008692
(2-ethyl-3,3-difluoropentyl)benzene;propane
CID 171834491
(2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine
CID 102123059
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
1-chloroethoxymethylbenzene
CID 12510706
(3R,4S,5S)-5-amino-4-phenylmethoxy-3-(trifluoromethyl)hexanoic acid
CID 125426933
[(2R,3S)-3-butoxybutan-2-yl]oxymethylbenzene
CID 57055398
[(2S)-3,3-dimethylbutan-2-yl]oxymethylbenzene;ethane
CID 143788890
2-methylpropyl 3,3,3-trifluoro-2-phenylmethoxypropanoate
CID 170096210

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-phenylmethoxybutan-1-amine?
The IUPAC name of 2,2-difluoro-1-phenylmethoxybutan-1-amine (CID 54533469) is 2,2-difluoro-1-phenylmethoxybutan-1-amine.
What is the SMILES notation for 2,2-difluoro-1-phenylmethoxybutan-1-amine?
The canonical SMILES for 2,2-difluoro-1-phenylmethoxybutan-1-amine is CCC(F)(F)C(N)OCc1ccccc1.
What is the InChIKey of 2,2-difluoro-1-phenylmethoxybutan-1-amine?
The InChIKey is YYDZSQLDWJMWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-2-11(12,13)10(14)15-8-9-6-4-3-5-7-9/h3-7,10H,2,8,14H2,1H3.
What are the key properties of 2,2-difluoro-1-phenylmethoxybutan-1-amine?
2,2-difluoro-1-phenylmethoxybutan-1-amine has a molecular weight of 215.24 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-phenylmethoxybutan-1-amine is sourced from PubChem (CID 54533469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).