[1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

C12H15ClF4N2O — CID 103151588

IUPAC[1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)(F)F)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H15ClF4N2O/c13-10-2-1-3-11(14)9(10)6-8(19-18)4-5-20-7-12(15,16)17/h1-3,8,19H,4-7,18H2
InChIKeyZUGKKONQDZQCLB-UHFFFAOYSA-N
MW314.71 g/mol
LogP2.82
Rot. Bonds7

About [1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

[1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (PubChem CID 103151588) has the molecular formula C12H15ClF4N2O and a molecular weight of 314.71 g/mol. Its IUPAC name is [1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
PubChem CID103151588
Molecular FormulaC12H15ClF4N2O
Molecular Weight314.71 g/mol
Exact Mass314.08
IUPAC Name[1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)(F)F)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H15ClF4N2O/c13-10-2-1-3-11(14)9(10)6-8(19-18)4-5-20-7-12(15,16)17/h1-3,8,19H,4-7,18H2
InChIKeyZUGKKONQDZQCLB-UHFFFAOYSA-N
XLogP2.82
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.71
LogP ≤ 52.82
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-(2-chloro-6-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477829
[1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105293129
[1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
CID 103152068
[1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105289068
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105105675
[1-(2-chloro-3-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105215908
[1-(2-chloro-6-fluorophenyl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213730
[1-(2-chloro-4-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105215894
1-(3-chloro-2-fluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148263
[1-(2-chloro-6-fluorophenyl)-4-methylheptan-2-yl]hydrazine
CID 105215968
[1-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105209834
[1-(2,6-difluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105206168

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (CID 103151588) is [1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is NNC(CCOCC(F)(F)F)Cc1c(F)cccc1Cl.
What is the InChIKey of [1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The InChIKey is ZUGKKONQDZQCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF4N2O/c13-10-2-1-3-11(14)9(10)6-8(19-18)4-5-20-7-12(15,16)17/h1-3,8,19H,4-7,18H2.
What are the key properties of [1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
[1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine has a molecular weight of 314.71 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 103151588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).