[2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine

C14H21F3N2 — CID 105305658

IUPAC[2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine
SMILESCCCC(CCC)C(NN)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H21F3N2/c1-3-5-9(6-4-2)14(19-18)10-7-8-11(15)13(17)12(10)16/h7-9,14,19H,3-6,18H2,1-2H3
InChIKeyVTHMWJNFSUXAGA-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.82
Rot. Bonds7

About [2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine

[2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine (PubChem CID 105305658) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is [2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine.

Molecular Properties

Compound Name[2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine
PubChem CID105305658
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name[2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine
SMILESCCCC(CCC)C(NN)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H21F3N2/c1-3-5-9(6-4-2)14(19-18)10-7-8-11(15)13(17)12(10)16/h7-9,14,19H,3-6,18H2,1-2H3
InChIKeyVTHMWJNFSUXAGA-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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-(4-fluorophenyl)-2-propylpentyl]hydrazine
CID 105284035
N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 115855168
[2-cyclopropyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
CID 105305668
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propylpentyl]hydrazine
CID 107292585
N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 62965296
N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105243943
[2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105213752
(1R)-1-(2,3,4-trifluorophenyl)pentan-1-amine;hydrochloride
CID 171205782
2-ethoxy-N-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 64532781
3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105259088
2-ethoxy-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 116717498
[4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine
CID 105224914

Frequently Asked Questions

What is the IUPAC name of [2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine?
The IUPAC name of [2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine (CID 105305658) is [2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine.
What is the SMILES notation for [2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine?
The canonical SMILES for [2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine is CCCC(CCC)C(NN)c1ccc(F)c(F)c1F.
What is the InChIKey of [2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine?
The InChIKey is VTHMWJNFSUXAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-3-5-9(6-4-2)14(19-18)10-7-8-11(15)13(17)12(10)16/h7-9,14,19H,3-6,18H2,1-2H3.
What are the key properties of [2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine?
[2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine has a molecular weight of 274.33 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine is sourced from PubChem (CID 105305658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).