[4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine

C13H17F5N2O — CID 103151932

IUPAC[4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)F)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F5N2O/c14-12(15)8-21-5-4-11(20-19)7-9-2-1-3-10(6-9)13(16,17)18/h1-3,6,11-12,20H,4-5,7-8,19H2
InChIKeyDYMPCSUUUVLBLZ-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.75
Rot. Bonds8

About [4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine

[4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine (PubChem CID 103151932) has the molecular formula C13H17F5N2O and a molecular weight of 312.28 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
PubChem CID103151932
Molecular FormulaC13H17F5N2O
Molecular Weight312.28 g/mol
Exact Mass312.13
IUPAC Name[4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)F)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F5N2O/c14-12(15)8-21-5-4-11(20-19)7-9-2-1-3-10(6-9)13(16,17)18/h1-3,6,11-12,20H,4-5,7-8,19H2
InChIKeyDYMPCSUUUVLBLZ-UHFFFAOYSA-N
XLogP2.75
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105207214
[1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 114033159
[1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
CID 103152068
[1-(furan-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105235150
[1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105227477
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541
[1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105253379
[4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine
CID 103151792
[4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
CID 102929755
4-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 103147587
1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62605208
[4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine
CID 103151796

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine?
The IUPAC name of [4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine (CID 103151932) is [4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine.
What is the SMILES notation for [4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine?
The canonical SMILES for [4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine is NNC(CCOCC(F)F)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of [4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine?
The InChIKey is DYMPCSUUUVLBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5N2O/c14-12(15)8-21-5-4-11(20-19)7-9-2-1-3-10(6-9)13(16,17)18/h1-3,6,11-12,20H,4-5,7-8,19H2.
What are the key properties of [4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine?
[4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine has a molecular weight of 312.28 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine is sourced from PubChem (CID 103151932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).