[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine

C13H21F3N2O — CID 102650378

IUPAC[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
SMILESNNC(C1=CCCCO1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)10-5-3-4-9(8-10)12(18-17)11-6-1-2-7-19-11/h6,9-10,12,18H,1-5,7-8,17H2
InChIKeyPJBKSJJVUVSDIB-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.88
Rot. Bonds3

About [3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine

[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine (PubChem CID 102650378) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is [3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine.

Molecular Properties

Compound Name[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
PubChem CID102650378
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
SMILESNNC(C1=CCCCO1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)10-5-3-4-9(8-10)12(18-17)11-6-1-2-7-19-11/h6,9-10,12,18H,1-5,7-8,17H2
InChIKeyPJBKSJJVUVSDIB-UHFFFAOYSA-N
XLogP2.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.88
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

(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102650320
[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 102650321
[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 102650340
2,3-Dihydrofuran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 102653077
[(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine
CID 102654507
[2,3-Dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 102654508
[2,3-Dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 102654527
[2,3-Dihydrofuran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 102654568
[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105333211
3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 113720519
3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 113720576

Frequently Asked Questions

What is the IUPAC name of [3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The IUPAC name of [3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine (CID 102650378) is [3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine.
What is the SMILES notation for [3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The canonical SMILES for [3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine is NNC(C1=CCCCO1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of [3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The InChIKey is PJBKSJJVUVSDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c14-13(15,16)10-5-3-4-9(8-10)12(18-17)11-6-1-2-7-19-11/h6,9-10,12,18H,1-5,7-8,17H2.
What are the key properties of [3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine has a molecular weight of 278.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine is sourced from PubChem (CID 102650378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).