(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine;ethane

C8H19F2N3 — CID 176699628

IUPAC(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine;ethane
SMILESCC.CC(C)N(N)/C=C(\N)C(F)F
InChIInChI=1S/C6H13F2N3.C2H6/c1-4(2)11(10)3-5(9)6(7)8;1-2/h3-4,6H,9-10H2,1-2H3;1-2H3/b5-3-;
InChIKeyDVZKVFLXWOBUHM-FBZPGIPVSA-N
MW195.26 g/mol
LogP1.66
Rot. Bonds3

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

(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine;ethane (PubChem CID 176699628) has the molecular formula C8H19F2N3 and a molecular weight of 195.26 g/mol. Its IUPAC name is (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine;ethane.

Molecular Properties

Compound Name(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine;ethane
PubChem CID176699628
Molecular FormulaC8H19F2N3
Molecular Weight195.26 g/mol
Exact Mass195.15
IUPAC Name(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine;ethane
SMILESCC.CC(C)N(N)/C=C(\N)C(F)F
InChIInChI=1S/C6H13F2N3.C2H6/c1-4(2)11(10)3-5(9)6(7)8;1-2/h3-4,6H,9-10H2,1-2H3;1-2H3/b5-3-;
InChIKeyDVZKVFLXWOBUHM-FBZPGIPVSA-N
XLogP1.66
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.66
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)-1-[amino(ethyl)amino]-3,3,3-trifluoroprop-1-en-2-amine
CID 126515333
(Z)-1-[amino(1,3-difluoropropan-2-yl)amino]-3-methylbut-1-en-2-amine
CID 148769649
(Z)-1-[amino(fluoromethyl)amino]prop-1-en-2-amine
CID 155330072
(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine
CID 156637586
(Z)-1-[amino(2-fluoroethyl)amino]prop-1-en-2-amine
CID 167115798
5-Methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydrotriazole
CID 168169396
(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine
CID 135129573
(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane
CID 143047363
[(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium
CID 172627963
(Z)-1-[amino(methyl)amino]prop-1-en-2-amine;butane
CID 177011104

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine;ethane?
The IUPAC name of (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine;ethane (CID 176699628) is (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine;ethane.
What is the SMILES notation for (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine;ethane?
The canonical SMILES for (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine;ethane is CC.CC(C)N(N)/C=C(\N)C(F)F.
What is the InChIKey of (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine;ethane?
The InChIKey is DVZKVFLXWOBUHM-FBZPGIPVSA-N. The full InChI is InChI=1S/C6H13F2N3.C2H6/c1-4(2)11(10)3-5(9)6(7)8;1-2/h3-4,6H,9-10H2,1-2H3;1-2H3/b5-3-;.
What are the key properties of (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine;ethane?
(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine;ethane has a molecular weight of 195.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine;ethane is sourced from PubChem (CID 176699628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).