4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine

C14H26F2N4O — CID 103149944

IUPAC4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCNC(CCOCC(F)F)Cc1ncnn1CCC
InChIInChI=1S/C14H26F2N4O/c1-3-6-17-12(5-8-21-10-13(15)16)9-14-18-11-19-20(14)7-4-2/h11-13,17H,3-10H2,1-2H3
InChIKeyBXCDQWNTRXJZDH-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.27
Rot. Bonds12

About 4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine

4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (PubChem CID 103149944) has the molecular formula C14H26F2N4O and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
PubChem CID103149944
Molecular FormulaC14H26F2N4O
Molecular Weight304.38 g/mol
Exact Mass304.21
IUPAC Name4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCNC(CCOCC(F)F)Cc1ncnn1CCC
InChIInChI=1S/C14H26F2N4O/c1-3-6-17-12(5-8-21-10-13(15)16)9-14-18-11-19-20(14)7-4-2/h11-13,17H,3-10H2,1-2H3
InChIKeyBXCDQWNTRXJZDH-UHFFFAOYSA-N
XLogP2.27
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,5,5-trifluoro-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79964580
4-ethoxy-N-ethyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162685
N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine
CID 105003076
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propoxy-N-propylbutan-2-amine
CID 105160794
[4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine
CID 103152003
N-ethyl-5,5,5-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79954945
[4-(2-methoxyethoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 102929979
[4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105206476
3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79616250
3-(2,2-difluoroethoxy)-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103149818
1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
CID 103149935
N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215703

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (CID 103149944) is 4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is CCCNC(CCOCC(F)F)Cc1ncnn1CCC.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The InChIKey is BXCDQWNTRXJZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N4O/c1-3-6-17-12(5-8-21-10-13(15)16)9-14-18-11-19-20(14)7-4-2/h11-13,17H,3-10H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine has a molecular weight of 304.38 g/mol, XLogP of 2.27, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is sourced from PubChem (CID 103149944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).