[4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine

C13H18F2N2 — CID 105206736

IUPAC[4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine
SMILESNNC(CCC1CC1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H18F2N2/c14-11-5-10(6-12(15)8-11)7-13(17-16)4-3-9-1-2-9/h5-6,8-9,13,17H,1-4,7,16H2
InChIKeyCMQKZBLTUHEQQG-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.53
Rot. Bonds6

About [4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine

[4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine (PubChem CID 105206736) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is [4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine
PubChem CID105206736
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name[4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine
SMILESNNC(CCC1CC1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H18F2N2/c14-11-5-10(6-12(15)8-11)7-13(17-16)4-3-9-1-2-9/h5-6,8-9,13,17H,1-4,7,16H2
InChIKeyCMQKZBLTUHEQQG-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-cyclopropyl-3-(3,5-difluorophenyl)propan-2-yl]hydrazine
CID 105206578
4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 105412616
(4-cyclopropyl-1-pyridin-4-ylbutan-2-yl)hydrazine
CID 105212471
[1-(4-chlorophenyl)-4-cyclopropylbutan-2-yl]hydrazine
CID 105197715
1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
CID 105015590
[4-cyclohexyl-1-(2,4-difluorophenyl)butan-2-yl]hydrazine
CID 105291836
[1-(3,5-difluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105206742
[4-cyclopentyl-1-(4-methylphenyl)butan-2-yl]hydrazine
CID 105284261
[4-cyclohexyl-1-(4-fluoro-2-methylphenyl)butan-2-yl]hydrazine
CID 105340839
[1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105324755
[1-(3,5-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105413124
[2-(3,5-difluorophenyl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105206697

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine?
The IUPAC name of [4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine (CID 105206736) is [4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine.
What is the SMILES notation for [4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine?
The canonical SMILES for [4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine is NNC(CCC1CC1)Cc1cc(F)cc(F)c1.
What is the InChIKey of [4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine?
The InChIKey is CMQKZBLTUHEQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c14-11-5-10(6-12(15)8-11)7-13(17-16)4-3-9-1-2-9/h5-6,8-9,13,17H,1-4,7,16H2.
What are the key properties of [4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine?
[4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine has a molecular weight of 240.30 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-1-(3,5-difluorophenyl)butan-2-yl]hydrazine is sourced from PubChem (CID 105206736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).