(1-chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine

C8H17ClF2N2O — CID 103027038

IUPAC(1-chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine
SMILESCOC(C)(C)CCC(NN)C(F)(F)Cl
InChIInChI=1S/C8H17ClF2N2O/c1-7(2,14-3)5-4-6(13-12)8(9,10)11/h6,13H,4-5,12H2,1-3H3
InChIKeyRFSPQWCYIPNXRH-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.86
Rot. Bonds6

About (1-chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine

(1-chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine (PubChem CID 103027038) has the molecular formula C8H17ClF2N2O and a molecular weight of 230.69 g/mol. Its IUPAC name is (1-chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine.

Molecular Properties

Compound Name(1-chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine
PubChem CID103027038
Molecular FormulaC8H17ClF2N2O
Molecular Weight230.69 g/mol
Exact Mass230.10
IUPAC Name(1-chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine
SMILESCOC(C)(C)CCC(NN)C(F)(F)Cl
InChIInChI=1S/C8H17ClF2N2O/c1-7(2,14-3)5-4-6(13-12)8(9,10)11/h6,13H,4-5,12H2,1-3H3
InChIKeyRFSPQWCYIPNXRH-UHFFFAOYSA-N
XLogP1.86
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1,1,1-Trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine
CID 103026460
(1,1,1-Trifluoro-5-methoxy-5-methylhexan-2-yl)hydrazine
CID 103026599
(1,1-Difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine
CID 103027034
[2-Chloro-2,2-difluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]hydrazine
CID 105265589

Frequently Asked Questions

What is the IUPAC name of (1-chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine?
The IUPAC name of (1-chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine (CID 103027038) is (1-chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine.
What is the SMILES notation for (1-chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine?
The canonical SMILES for (1-chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine is COC(C)(C)CCC(NN)C(F)(F)Cl.
What is the InChIKey of (1-chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine?
The InChIKey is RFSPQWCYIPNXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClF2N2O/c1-7(2,14-3)5-4-6(13-12)8(9,10)11/h6,13H,4-5,12H2,1-3H3.
What are the key properties of (1-chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine?
(1-chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine has a molecular weight of 230.69 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine is sourced from PubChem (CID 103027038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).