(Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine

C8H17F2N3 — CID 148769649

IUPAC(Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine
SMILESCC(C)/C(N)=C/N(N)C(CF)CF
InChIInChI=1S/C8H17F2N3/c1-6(2)8(11)5-13(12)7(3-9)4-10/h5-7H,3-4,11-12H2,1-2H3/b8-5-
InChIKeyOIDRDJLIBHOVIR-YVMONPNESA-N
MW193.24 g/mol
LogP0.93
Rot. Bonds5

About (Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine

(Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine (PubChem CID 148769649) has the molecular formula C8H17F2N3 and a molecular weight of 193.24 g/mol. Its IUPAC name is (Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine
PubChem CID148769649
Molecular FormulaC8H17F2N3
Molecular Weight193.24 g/mol
Exact Mass193.14
IUPAC Name(Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine
SMILESCC(C)/C(N)=C/N(N)C(CF)CF
InChIInChI=1S/C8H17F2N3/c1-6(2)8(11)5-13(12)7(3-9)4-10/h5-7H,3-4,11-12H2,1-2H3/b8-5-
InChIKeyOIDRDJLIBHOVIR-YVMONPNESA-N
XLogP0.93
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 50.93
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine (CID 148769649) is (Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine is CC(C)/C(N)=C/N(N)C(CF)CF.
What is the InChIKey of (Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine?
The InChIKey is OIDRDJLIBHOVIR-YVMONPNESA-N. The full InChI is InChI=1S/C8H17F2N3/c1-6(2)8(11)5-13(12)7(3-9)4-10/h5-7H,3-4,11-12H2,1-2H3/b8-5-.
What are the key properties of (Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine?
(Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine has a molecular weight of 193.24 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine is sourced from PubChem (CID 148769649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).