4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine

C16H16F3NO — CID 82138332

IUPAC4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine
SMILESNCC(CCOc1ccc(F)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C16H16F3NO/c17-13-3-1-2-11(8-13)12(10-20)6-7-21-14-4-5-15(18)16(19)9-14/h1-5,8-9,12H,6-7,10,20H2
InChIKeyAFZCKIQCACIFTF-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.62
Rot. Bonds6

About 4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine

4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine (PubChem CID 82138332) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine
PubChem CID82138332
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine
SMILESNCC(CCOc1ccc(F)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C16H16F3NO/c17-13-3-1-2-11(8-13)12(10-20)6-7-21-14-4-5-15(18)16(19)9-14/h1-5,8-9,12H,6-7,10,20H2
InChIKeyAFZCKIQCACIFTF-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine
CID 82138439
2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457132
4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138081
4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138103
4-(3-chlorophenoxy)-2-phenylbutan-1-amine
CID 82138848
2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138304
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
2-(3-bromophenyl)-4-phenoxybutan-1-amine
CID 79442992
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 79441142
2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740
2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79440305
2-(3-fluorophenyl)-5-phenylpentan-1-amine
CID 79015149

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine?
The IUPAC name of 4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine (CID 82138332) is 4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine?
The canonical SMILES for 4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine is NCC(CCOc1ccc(F)c(F)c1)c1cccc(F)c1.
What is the InChIKey of 4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine?
The InChIKey is AFZCKIQCACIFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-13-3-1-2-11(8-13)12(10-20)6-7-21-14-4-5-15(18)16(19)9-14/h1-5,8-9,12H,6-7,10,20H2.
What are the key properties of 4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine?
4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine has a molecular weight of 295.30 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine is sourced from PubChem (CID 82138332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).