(1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine

C11H21F2N3 — CID 166865390

IUPAC(1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine
SMILESCC(C)C1CC/C(N)=C(/NN)C(F)(F)CC1
InChIInChI=1S/C11H21F2N3/c1-7(2)8-3-4-9(14)10(16-15)11(12,13)6-5-8/h7-8,16H,3-6,14-15H2,1-2H3/b10-9-
InChIKeyUUJKIODGLCQNPE-KTKRTIGZSA-N
MW233.31 g/mol
LogP2.10
Rot. Bonds2

About (1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine

(1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine (PubChem CID 166865390) has the molecular formula C11H21F2N3 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine.

Molecular Properties

Compound Name(1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine
PubChem CID166865390
Molecular FormulaC11H21F2N3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC Name(1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine
SMILESCC(C)C1CC/C(N)=C(/NN)C(F)(F)CC1
InChIInChI=1S/C11H21F2N3/c1-7(2)8-3-4-9(14)10(16-15)11(12,13)6-5-8/h7-8,16H,3-6,14-15H2,1-2H3/b10-9-
InChIKeyUUJKIODGLCQNPE-KTKRTIGZSA-N
XLogP2.10
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.10
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine?
The IUPAC name of (1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine (CID 166865390) is (1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine.
What is the SMILES notation for (1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine?
The canonical SMILES for (1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine is CC(C)C1CC/C(N)=C(/NN)C(F)(F)CC1.
What is the InChIKey of (1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine?
The InChIKey is UUJKIODGLCQNPE-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H21F2N3/c1-7(2)8-3-4-9(14)10(16-15)11(12,13)6-5-8/h7-8,16H,3-6,14-15H2,1-2H3/b10-9-.
What are the key properties of (1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine?
(1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3,3-difluoro-2-hydrazinyl-6-propan-2-ylcycloocten-1-amine is sourced from PubChem (CID 166865390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).