(Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine;ethane;molecular hydrogen

C10H22F2N2 — CID 169247452

IUPAC(Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine;ethane;molecular hydrogen
SMILESCC.CC(=C/C(C)N)/N=C(\C)C(F)F.[H][H]
InChIInChI=1S/C8H14F2N2.C2H6.H2/c1-5(11)4-6(2)12-7(3)8(9)10;1-2;/h4-5,8H,11H2,1-3H3;1-2H3;1H/b6-4-,12-7+;;
InChIKeyIUPLDRCAJGRWMS-FOHSTFLGSA-N
MW208.30 g/mol
LogP3.24
Rot. Bonds3

About (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine;ethane;molecular hydrogen

(Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine;ethane;molecular hydrogen (PubChem CID 169247452) has the molecular formula C10H22F2N2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine;ethane;molecular hydrogen.

Molecular Properties

Compound Name(Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine;ethane;molecular hydrogen
PubChem CID169247452
Molecular FormulaC10H22F2N2
Molecular Weight208.30 g/mol
Exact Mass208.18
IUPAC Name(Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine;ethane;molecular hydrogen
SMILESCC.CC(=C/C(C)N)/N=C(\C)C(F)F.[H][H]
InChIInChI=1S/C8H14F2N2.C2H6.H2/c1-5(11)4-6(2)12-7(3)8(9)10;1-2;/h4-5,8H,11H2,1-3H3;1-2H3;1H/b6-4-,12-7+;;
InChIKeyIUPLDRCAJGRWMS-FOHSTFLGSA-N
XLogP3.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.24
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;ethane;molecular hydrogen?
The IUPAC name of (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine;ethane;molecular hydrogen (CID 169247452) is (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine;ethane;molecular hydrogen.
What is the SMILES notation for (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine;ethane;molecular hydrogen?
The canonical SMILES for (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine;ethane;molecular hydrogen is CC.CC(=C/C(C)N)/N=C(\C)C(F)F.[H][H].
What is the InChIKey of (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine;ethane;molecular hydrogen?
The InChIKey is IUPLDRCAJGRWMS-FOHSTFLGSA-N. The full InChI is InChI=1S/C8H14F2N2.C2H6.H2/c1-5(11)4-6(2)12-7(3)8(9)10;1-2;/h4-5,8H,11H2,1-3H3;1-2H3;1H/b6-4-,12-7+;;.
What are the key properties of (Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine;ethane;molecular hydrogen?
(Z)-4-(1,1-difluoropropan-2-ylideneamino)pent-3-en-2-amine;ethane;molecular hydrogen has a molecular weight of 208.30 g/mol, XLogP of 3.24, 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;ethane;molecular hydrogen is sourced from PubChem (CID 169247452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).