[1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine

C9H18F2N2O — CID 103151776

IUPAC[1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)F)CC1CC1
InChIInChI=1S/C9H18F2N2O/c10-9(11)6-14-4-3-8(13-12)5-7-1-2-7/h7-9,13H,1-6,12H2
InChIKeyVXBQBCHODYTURK-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.29
Rot. Bonds8

About [1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine

[1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine (PubChem CID 103151776) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is [1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
PubChem CID103151776
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name[1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)F)CC1CC1
InChIInChI=1S/C9H18F2N2O/c10-9(11)6-14-4-3-8(13-12)5-7-1-2-7/h7-9,13H,1-6,12H2
InChIKeyVXBQBCHODYTURK-UHFFFAOYSA-N
XLogP1.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.29
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-Cyclopropyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148019
1-Cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine
CID 103148889
[1-Cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151444
[7-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine
CID 103151446
[5-Methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151447
[1-Cyclopropyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151457
1-(2,2,2-Trifluoroethoxy)heptan-3-ylhydrazine
CID 103151459
[5-Methyl-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
CID 103151460
[1-Cyclopropyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151495
[1-Cyclobutyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151497
[1-Cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151501
[1-Cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151504

Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine (CID 103151776) is [1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine is NNC(CCOCC(F)F)CC1CC1.
What is the InChIKey of [1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine?
The InChIKey is VXBQBCHODYTURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c10-9(11)6-14-4-3-8(13-12)5-7-1-2-7/h7-9,13H,1-6,12H2.
What are the key properties of [1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine?
[1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine has a molecular weight of 208.25 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 103151776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).