[1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine

C12H19FN2OS — CID 105236110

IUPAC[1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine
SMILESCCCOCC(CSc1ccccc1F)NN
InChIInChI=1S/C12H19FN2OS/c1-2-7-16-8-10(15-14)9-17-12-6-4-3-5-11(12)13/h3-6,10,15H,2,7-9,14H2,1H3
InChIKeyUGPZWIXIUYTPSI-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.18
Rot. Bonds8

About [1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine

[1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine (PubChem CID 105236110) has the molecular formula C12H19FN2OS and a molecular weight of 258.36 g/mol. Its IUPAC name is [1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine
PubChem CID105236110
Molecular FormulaC12H19FN2OS
Molecular Weight258.36 g/mol
Exact Mass258.12
IUPAC Name[1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine
SMILESCCCOCC(CSc1ccccc1F)NN
InChIInChI=1S/C12H19FN2OS/c1-2-7-16-8-10(15-14)9-17-12-6-4-3-5-11(12)13/h3-6,10,15H,2,7-9,14H2,1H3
InChIKeyUGPZWIXIUYTPSI-UHFFFAOYSA-N
XLogP2.18
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine
CID 105210157
[3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine
CID 105236088
[5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine
CID 105236139
[1-(2-fluorophenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine
CID 105236122
1-(2-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
CID 106992356
[1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-yl]hydrazine
CID 105237720
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine
CID 79575022
(1-naphthalen-1-yl-3-propoxypropan-2-yl)hydrazine
CID 105210084
[1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine
CID 106270835
N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine
CID 66051552
1-(2-butoxyethylsulfanyl)-2-fluorobenzene
CID 78903276
4-[3-(2-fluorophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine
CID 66051154

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine?
The IUPAC name of [1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine (CID 105236110) is [1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine?
The canonical SMILES for [1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine is CCCOCC(CSc1ccccc1F)NN.
What is the InChIKey of [1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine?
The InChIKey is UGPZWIXIUYTPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2OS/c1-2-7-16-8-10(15-14)9-17-12-6-4-3-5-11(12)13/h3-6,10,15H,2,7-9,14H2,1H3.
What are the key properties of [1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine?
[1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine has a molecular weight of 258.36 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)sulfanyl-3-propoxypropan-2-yl]hydrazine is sourced from PubChem (CID 105236110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).