(Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine

C7H13FN2 — CID 167170172

IUPAC(Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine
SMILESCC/C=C\N/C(=C\N)CF
InChIInChI=1S/C7H13FN2/c1-2-3-4-10-7(5-8)6-9/h3-4,6,10H,2,5,9H2,1H3/b4-3-,7-6-
InChIKeyXMHAFDYTHKIYMX-CWWKMNTPSA-N
MW144.19 g/mol
LogP1.27
Rot. Bonds4

About (Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine

(Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine (PubChem CID 167170172) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is (Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine
PubChem CID167170172
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name(Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine
SMILESCC/C=C\N/C(=C\N)CF
InChIInChI=1S/C7H13FN2/c1-2-3-4-10-7(5-8)6-9/h3-4,6,10H,2,5,9H2,1H3/b4-3-,7-6-
InChIKeyXMHAFDYTHKIYMX-CWWKMNTPSA-N
XLogP1.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine (CID 167170172) is (Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine is CC/C=C\N/C(=C\N)CF.
What is the InChIKey of (Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine?
The InChIKey is XMHAFDYTHKIYMX-CWWKMNTPSA-N. The full InChI is InChI=1S/C7H13FN2/c1-2-3-4-10-7(5-8)6-9/h3-4,6,10H,2,5,9H2,1H3/b4-3-,7-6-.
What are the key properties of (Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine?
(Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine has a molecular weight of 144.19 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-[(Z)-but-1-enyl]-3-fluoroprop-1-ene-1,2-diamine is sourced from PubChem (CID 167170172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).