(Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine

C7H15F2N3 — CID 177328079

IUPAC(Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine
SMILESC/C(=C(/N)C(F)F)N(N)C(C)C
InChIInChI=1S/C7H15F2N3/c1-4(2)12(11)5(3)6(10)7(8)9/h4,7H,10-11H2,1-3H3/b6-5-
InChIKeyMIYIETIGYGDBHR-WAYWQWQTSA-N
MW179.21 g/mol
LogP1.03
Rot. Bonds3

About (Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine

(Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine (PubChem CID 177328079) has the molecular formula C7H15F2N3 and a molecular weight of 179.21 g/mol. Its IUPAC name is (Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine
PubChem CID177328079
Molecular FormulaC7H15F2N3
Molecular Weight179.21 g/mol
Exact Mass179.12
IUPAC Name(Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine
SMILESC/C(=C(/N)C(F)F)N(N)C(C)C
InChIInChI=1S/C7H15F2N3/c1-4(2)12(11)5(3)6(10)7(8)9/h4,7H,10-11H2,1-3H3/b6-5-
InChIKeyMIYIETIGYGDBHR-WAYWQWQTSA-N
XLogP1.03
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.03
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

(Z)-2-[amino(ethyl)amino]-1,1-difluoropent-2-en-3-amine
CID 153569553
(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine
CID 156637586
(Z)-3-[amino(ethyl)amino]-1-chloro-4,4-difluorobut-2-en-2-amine
CID 170099217
(Z)-3-[amino(propan-2-yl)amino]-4,4,4-trifluorobut-2-en-2-amine
CID 177327781
5-Methyl-3-propan-2-yl-4-(trifluoromethyl)-1,2-dihydrotriazole
CID 177328248
1-[(Z)-1,1-difluorobut-2-en-2-yl]-1-propan-2-ylhydrazine
CID 168933134

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine?
The IUPAC name of (Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine (CID 177328079) is (Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine.
What is the SMILES notation for (Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine?
The canonical SMILES for (Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine is C/C(=C(/N)C(F)F)N(N)C(C)C.
What is the InChIKey of (Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine?
The InChIKey is MIYIETIGYGDBHR-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H15F2N3/c1-4(2)12(11)5(3)6(10)7(8)9/h4,7H,10-11H2,1-3H3/b6-5-.
What are the key properties of (Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine?
(Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine has a molecular weight of 179.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[amino(propan-2-yl)amino]-1,1-difluorobut-2-en-2-amine is sourced from PubChem (CID 177328079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).