[1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine

C14H28F2N2O — CID 114225995

IUPAC[1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine
SMILESCCCC(OCC)C(CC1CCCC(F)(F)C1)NN
InChIInChI=1S/C14H28F2N2O/c1-3-6-13(19-4-2)12(18-17)9-11-7-5-8-14(15,16)10-11/h11-13,18H,3-10,17H2,1-2H3
InChIKeyCKFVAGPVUIZVMX-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.24
Rot. Bonds8

About [1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine

[1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine (PubChem CID 114225995) has the molecular formula C14H28F2N2O and a molecular weight of 278.39 g/mol. Its IUPAC name is [1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine
PubChem CID114225995
Molecular FormulaC14H28F2N2O
Molecular Weight278.39 g/mol
Exact Mass278.22
IUPAC Name[1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine
SMILESCCCC(OCC)C(CC1CCCC(F)(F)C1)NN
InChIInChI=1S/C14H28F2N2O/c1-3-6-13(19-4-2)12(18-17)9-11-7-5-8-14(15,16)10-11/h11-13,18H,3-10,17H2,1-2H3
InChIKeyCKFVAGPVUIZVMX-UHFFFAOYSA-N
XLogP3.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.24
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-cyclobutyl-3-ethoxyhexan-2-yl)hydrazine
CID 105271431
(1-cyclohexyl-3-ethoxyhexan-2-yl)hydrazine
CID 105271338
(1-cyclohexyl-3-methoxyhexan-2-yl)hydrazine
CID 105271682
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine
CID 114246637
(5-ethoxy-1,1,1-trifluorooctan-4-yl)hydrazine
CID 105271252
3-(2-chlorobutyl)-1,1-difluorocyclohexane
CID 126974576
4-ethoxydodecan-5-ylhydrazine
CID 105271332
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane
CID 130487710
(1-cyclobutyl-2-ethoxypentyl)hydrazine
CID 105271516
4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 114225502
2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine
CID 114224934

Frequently Asked Questions

What is the IUPAC name of [1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine?
The IUPAC name of [1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine (CID 114225995) is [1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine?
The canonical SMILES for [1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine is CCCC(OCC)C(CC1CCCC(F)(F)C1)NN.
What is the InChIKey of [1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine?
The InChIKey is CKFVAGPVUIZVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2N2O/c1-3-6-13(19-4-2)12(18-17)9-11-7-5-8-14(15,16)10-11/h11-13,18H,3-10,17H2,1-2H3.
What are the key properties of [1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine?
[1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine has a molecular weight of 278.39 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine is sourced from PubChem (CID 114225995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).