[1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine

C14H19F3N2S — CID 105293256

IUPAC[1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESCC1(C(Cc2cccc(C(F)(F)F)c2)NN)CCCS1
InChIInChI=1S/C14H19F3N2S/c1-13(6-3-7-20-13)12(19-18)9-10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8,12,19H,3,6-7,9,18H2,1H3
InChIKeyRRRRPNZGJHGAHM-UHFFFAOYSA-N
MW304.38 g/mol
LogP3.37
Rot. Bonds4

About [1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine

[1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine (PubChem CID 105293256) has the molecular formula C14H19F3N2S and a molecular weight of 304.38 g/mol. Its IUPAC name is [1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
PubChem CID105293256
Molecular FormulaC14H19F3N2S
Molecular Weight304.38 g/mol
Exact Mass304.12
IUPAC Name[1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESCC1(C(Cc2cccc(C(F)(F)F)c2)NN)CCCS1
InChIInChI=1S/C14H19F3N2S/c1-13(6-3-7-20-13)12(19-18)9-10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8,12,19H,3,6-7,9,18H2,1H3
InChIKeyRRRRPNZGJHGAHM-UHFFFAOYSA-N
XLogP3.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105253379
[1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105268693
[2-[[3-(trifluoromethyl)phenyl]methyl]thiolan-2-yl]methanamine
CID 83173473
[3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105293250
[1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105207214
1-(2,2-dimethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 107188138
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclobutan-1-amine
CID 115765833
[1-(3-bicyclo[3.1.0]hexanyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105293227
[1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105235170
2-[[3-(trifluoromethyl)phenyl]methyl]thiolane-2-carboxylic acid
CID 83173223

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The IUPAC name of [1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine (CID 105293256) is [1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine.
What is the SMILES notation for [1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The canonical SMILES for [1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine is CC1(C(Cc2cccc(C(F)(F)F)c2)NN)CCCS1.
What is the InChIKey of [1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The InChIKey is RRRRPNZGJHGAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2S/c1-13(6-3-7-20-13)12(19-18)9-10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8,12,19H,3,6-7,9,18H2,1H3.
What are the key properties of [1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
[1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine has a molecular weight of 304.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylthiolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105293256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).