[1-[5-fluoro-2-(trifluoromethyl)phenyl]-5-methylhexyl]hydrazine

C14H20F4N2 — CID 105257677

IUPAC[1-[5-fluoro-2-(trifluoromethyl)phenyl]-5-methylhexyl]hydrazine
SMILESCC(C)CCCC(NN)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C14H20F4N2/c1-9(2)4-3-5-13(20-19)11-8-10(15)6-7-12(11)14(16,17)18/h6-9,13,20H,3-5,19H2,1-2H3
InChIKeyBALSVPMBTLOMIP-UHFFFAOYSA-N
MW292.32 g/mol
LogP4.18
Rot. Bonds6

About [1-[5-fluoro-2-(trifluoromethyl)phenyl]-5-methylhexyl]hydrazine

[1-[5-fluoro-2-(trifluoromethyl)phenyl]-5-methylhexyl]hydrazine (PubChem CID 105257677) has the molecular formula C14H20F4N2 and a molecular weight of 292.32 g/mol. Its IUPAC name is [1-[5-fluoro-2-(trifluoromethyl)phenyl]-5-methylhexyl]hydrazine.

Molecular Properties

Compound Name[1-[5-fluoro-2-(trifluoromethyl)phenyl]-5-methylhexyl]hydrazine
PubChem CID105257677
Molecular FormulaC14H20F4N2
Molecular Weight292.32 g/mol
Exact Mass292.16
IUPAC Name[1-[5-fluoro-2-(trifluoromethyl)phenyl]-5-methylhexyl]hydrazine
SMILESCC(C)CCCC(NN)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C14H20F4N2/c1-9(2)4-3-5-13(20-19)11-8-10(15)6-7-12(11)14(16,17)18/h6-9,13,20H,3-5,19H2,1-2H3
InChIKeyBALSVPMBTLOMIP-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 54.18
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-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropyl]hydrazine
CID 105257619
[1-(5-fluoro-2-methylphenyl)-4-methylpentyl]hydrazine
CID 105207462
[1-(2-chloro-4-fluorophenyl)-4-methylpentyl]hydrazine
CID 105215256
[5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine
CID 105193980
(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021281
1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79016521
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131252530
(1S,2R)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131490477
(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171228670
(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171228674
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171209069
4-fluoro-2-(1-hydrazinyldecyl)aniline
CID 105263176

Frequently Asked Questions

What is the IUPAC name of [1-[5-fluoro-2-(trifluoromethyl)phenyl]-5-methylhexyl]hydrazine?
The IUPAC name of [1-[5-fluoro-2-(trifluoromethyl)phenyl]-5-methylhexyl]hydrazine (CID 105257677) is [1-[5-fluoro-2-(trifluoromethyl)phenyl]-5-methylhexyl]hydrazine.
What is the SMILES notation for [1-[5-fluoro-2-(trifluoromethyl)phenyl]-5-methylhexyl]hydrazine?
The canonical SMILES for [1-[5-fluoro-2-(trifluoromethyl)phenyl]-5-methylhexyl]hydrazine is CC(C)CCCC(NN)c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of [1-[5-fluoro-2-(trifluoromethyl)phenyl]-5-methylhexyl]hydrazine?
The InChIKey is BALSVPMBTLOMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4N2/c1-9(2)4-3-5-13(20-19)11-8-10(15)6-7-12(11)14(16,17)18/h6-9,13,20H,3-5,19H2,1-2H3.
What are the key properties of [1-[5-fluoro-2-(trifluoromethyl)phenyl]-5-methylhexyl]hydrazine?
[1-[5-fluoro-2-(trifluoromethyl)phenyl]-5-methylhexyl]hydrazine has a molecular weight of 292.32 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-fluoro-2-(trifluoromethyl)phenyl]-5-methylhexyl]hydrazine is sourced from PubChem (CID 105257677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).