(Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine

C8H14F2N2 — CID 169247453

IUPAC(Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine
SMILESCC(=C/C(C)N)/N=C(\C)C(F)F
InChIInChI=1S/C8H14F2N2/c1-5(11)4-6(2)12-7(3)8(9)10/h4-5,8H,11H2,1-3H3/b6-4-,12-7+
InChIKeyOITQDGSUVPPCOU-YZUXJHQHSA-N
MW176.21 g/mol
LogP1.96
Rot. Bonds3

About (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine

(Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine (PubChem CID 169247453) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine
PubChem CID169247453
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name(Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine
SMILESCC(=C/C(C)N)/N=C(\C)C(F)F
InChIInChI=1S/C8H14F2N2/c1-5(11)4-6(2)12-7(3)8(9)10/h4-5,8H,11H2,1-3H3/b6-4-,12-7+
InChIKeyOITQDGSUVPPCOU-YZUXJHQHSA-N
XLogP1.96
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine?
The IUPAC name of (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine (CID 169247453) is (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine.
What is the SMILES notation for (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine?
The canonical SMILES for (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine is CC(=C/C(C)N)/N=C(\C)C(F)F.
What is the InChIKey of (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine?
The InChIKey is OITQDGSUVPPCOU-YZUXJHQHSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-5(11)4-6(2)12-7(3)8(9)10/h4-5,8H,11H2,1-3H3/b6-4-,12-7+.
What are the key properties of (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine?
(Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine has a molecular weight of 176.21 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine is sourced from PubChem (CID 169247453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).