(Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine

C8H17FN2 — CID 146266307

IUPAC(Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine
SMILESC/C(=C/N)NC(C)CC(C)F
InChIInChI=1S/C8H17FN2/c1-6(9)4-7(2)11-8(3)5-10/h5-7,11H,4,10H2,1-3H3/b8-5-
InChIKeyLOQAVMWOWFSITD-YVMONPNESA-N
MW160.24 g/mol
LogP1.53
Rot. Bonds4

About (Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine

(Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine (PubChem CID 146266307) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is (Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine
PubChem CID146266307
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name(Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine
SMILESC/C(=C/N)NC(C)CC(C)F
InChIInChI=1S/C8H17FN2/c1-6(9)4-7(2)11-8(3)5-10/h5-7,11H,4,10H2,1-3H3/b8-5-
InChIKeyLOQAVMWOWFSITD-YVMONPNESA-N
XLogP1.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine?
The IUPAC name of (Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine (CID 146266307) is (Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine is C/C(=C/N)NC(C)CC(C)F.
What is the InChIKey of (Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine?
The InChIKey is LOQAVMWOWFSITD-YVMONPNESA-N. The full InChI is InChI=1S/C8H17FN2/c1-6(9)4-7(2)11-8(3)5-10/h5-7,11H,4,10H2,1-3H3/b8-5-.
What are the key properties of (Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine?
(Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine has a molecular weight of 160.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine is sourced from PubChem (CID 146266307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).