[1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine

C10H10BrF5N2 — CID 106945388

IUPAC[1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)c1c(F)ccc(Br)c1F
InChIInChI=1S/C10H10BrF5N2/c11-5-1-2-6(12)8(9(5)13)7(18-17)3-4-10(14,15)16/h1-2,7,18H,3-4,17H2
InChIKeyDHTHEZPXBGZQRP-UHFFFAOYSA-N
MW333.10 g/mol
LogP3.57
Rot. Bonds4

About [1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine

[1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine (PubChem CID 106945388) has the molecular formula C10H10BrF5N2 and a molecular weight of 333.10 g/mol. Its IUPAC name is [1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine
PubChem CID106945388
Molecular FormulaC10H10BrF5N2
Molecular Weight333.10 g/mol
Exact Mass331.99
IUPAC Name[1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)c1c(F)ccc(Br)c1F
InChIInChI=1S/C10H10BrF5N2/c11-5-1-2-6(12)8(9(5)13)7(18-17)3-4-10(14,15)16/h1-2,7,18H,3-4,17H2
InChIKeyDHTHEZPXBGZQRP-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.10
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromo-2,6-difluorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 106945415
[1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine
CID 106945539
[1-(3-bromo-2,6-difluorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 106945665
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 106942324
[1-(2,6-dichlorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313893
[1-(3-bromo-2,6-difluorophenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 106945264
[1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine
CID 106945433
1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine
CID 106268059
1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylbutan-2-amine
CID 106945368
1-(3-bromo-2,6-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 106945364
1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 106942409
[(3-bromo-2,6-difluorophenyl)-cyclopropylmethyl]hydrazine
CID 106945257

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine?
The IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine (CID 106945388) is [1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine?
The canonical SMILES for [1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine is NNC(CCC(F)(F)F)c1c(F)ccc(Br)c1F.
What is the InChIKey of [1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine?
The InChIKey is DHTHEZPXBGZQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF5N2/c11-5-1-2-6(12)8(9(5)13)7(18-17)3-4-10(14,15)16/h1-2,7,18H,3-4,17H2.
What are the key properties of [1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine?
[1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine has a molecular weight of 333.10 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine is sourced from PubChem (CID 106945388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).