4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine

C14H19F4NO — CID 103149509

IUPAC4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
SMILESCCNC(CCOCC(F)F)Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H19F4NO/c1-2-19-13(3-4-20-9-14(17)18)7-10-5-11(15)8-12(16)6-10/h5-6,8,13-14,19H,2-4,7,9H2,1H3
InChIKeyBDTVPGFCWJZYHT-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.16
Rot. Bonds9

About 4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine

4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine (PubChem CID 103149509) has the molecular formula C14H19F4NO and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
PubChem CID103149509
Molecular FormulaC14H19F4NO
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Name4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
SMILESCCNC(CCOCC(F)F)Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H19F4NO/c1-2-19-13(3-4-20-9-14(17)18)7-10-5-11(15)8-12(16)6-10/h5-6,8,13-14,19H,2-4,7,9H2,1H3
InChIKeyBDTVPGFCWJZYHT-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105412474
4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine
CID 103149560
1-(3-bromo-4-methoxyphenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149747
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 103207306
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propoxypropan-2-amine
CID 79709539
4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 105406565
1-(3,5-difluorophenyl)-N-ethylhept-5-yn-2-amine
CID 113455261
4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 105412616
1-(5-chloro-2-methoxyphenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149649
1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 107309180
1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine
CID 82923051
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62125771

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine (CID 103149509) is 4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine is CCNC(CCOCC(F)F)Cc1cc(F)cc(F)c1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine?
The InChIKey is BDTVPGFCWJZYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO/c1-2-19-13(3-4-20-9-14(17)18)7-10-5-11(15)8-12(16)6-10/h5-6,8,13-14,19H,2-4,7,9H2,1H3.
What are the key properties of 4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine?
4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine has a molecular weight of 293.30 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine is sourced from PubChem (CID 103149509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).