(E)-1-fluoro-N,N,N'-trimethyl-N'-propan-2-ylethene-1,2-diamine

C8H17FN2 — CID 146392648

IUPAC(E)-1-fluoro-N,N,N'-trimethyl-N'-propan-2-ylethene-1,2-diamine
SMILESCC(C)N(C)/C=C(/F)N(C)C
InChIInChI=1S/C8H17FN2/c1-7(2)11(5)6-8(9)10(3)4/h6-7H,1-5H3/b8-6-
InChIKeyYGCMXPMQKGJNOP-VURMDHGXSA-N
MW160.24 g/mol
LogP1.66
Rot. Bonds3

About (E)-1-fluoro-N,N,N'-trimethyl-N'-propan-2-ylethene-1,2-diamine

(E)-1-fluoro-N,N,N'-trimethyl-N'-propan-2-ylethene-1,2-diamine (PubChem CID 146392648) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is (E)-1-fluoro-N,N,N'-trimethyl-N'-propan-2-ylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-fluoro-N,N,N'-trimethyl-N'-propan-2-ylethene-1,2-diamine
PubChem CID146392648
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name(E)-1-fluoro-N,N,N'-trimethyl-N'-propan-2-ylethene-1,2-diamine
SMILESCC(C)N(C)/C=C(/F)N(C)C
InChIInChI=1S/C8H17FN2/c1-7(2)11(5)6-8(9)10(3)4/h6-7H,1-5H3/b8-6-
InChIKeyYGCMXPMQKGJNOP-VURMDHGXSA-N
XLogP1.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-N,N,N'-trimethyl-N'-propan-2-ylethene-1,2-diamine?
The IUPAC name of (E)-1-fluoro-N,N,N'-trimethyl-N'-propan-2-ylethene-1,2-diamine (CID 146392648) is (E)-1-fluoro-N,N,N'-trimethyl-N'-propan-2-ylethene-1,2-diamine.
What is the SMILES notation for (E)-1-fluoro-N,N,N'-trimethyl-N'-propan-2-ylethene-1,2-diamine?
The canonical SMILES for (E)-1-fluoro-N,N,N'-trimethyl-N'-propan-2-ylethene-1,2-diamine is CC(C)N(C)/C=C(/F)N(C)C.
What is the InChIKey of (E)-1-fluoro-N,N,N'-trimethyl-N'-propan-2-ylethene-1,2-diamine?
The InChIKey is YGCMXPMQKGJNOP-VURMDHGXSA-N. The full InChI is InChI=1S/C8H17FN2/c1-7(2)11(5)6-8(9)10(3)4/h6-7H,1-5H3/b8-6-.
What are the key properties of (E)-1-fluoro-N,N,N'-trimethyl-N'-propan-2-ylethene-1,2-diamine?
(E)-1-fluoro-N,N,N'-trimethyl-N'-propan-2-ylethene-1,2-diamine has a molecular weight of 160.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-N,N,N'-trimethyl-N'-propan-2-ylethene-1,2-diamine is sourced from PubChem (CID 146392648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).