(Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine

C10H20FN — CID 84820316

IUPAC(Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine
SMILESC/C=C(\F)CN(C(C)C)C(C)C
InChIInChI=1S/C10H20FN/c1-6-10(11)7-12(8(2)3)9(4)5/h6,8-9H,7H2,1-5H3/b10-6-
InChIKeyUREPQMPSMXEYOB-POHAHGRESA-N
MW173.28 g/mol
LogP2.98
Rot. Bonds4

About (Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine

(Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine (PubChem CID 84820316) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is (Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine
PubChem CID84820316
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Name(Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine
SMILESC/C=C(\F)CN(C(C)C)C(C)C
InChIInChI=1S/C10H20FN/c1-6-10(11)7-12(8(2)3)9(4)5/h6,8-9H,7H2,1-5H3/b10-6-
InChIKeyUREPQMPSMXEYOB-POHAHGRESA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine?
The IUPAC name of (Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine (CID 84820316) is (Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine.
What is the SMILES notation for (Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine?
The canonical SMILES for (Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine is C/C=C(\F)CN(C(C)C)C(C)C.
What is the InChIKey of (Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine?
The InChIKey is UREPQMPSMXEYOB-POHAHGRESA-N. The full InChI is InChI=1S/C10H20FN/c1-6-10(11)7-12(8(2)3)9(4)5/h6,8-9H,7H2,1-5H3/b10-6-.
What are the key properties of (Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine?
(Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine has a molecular weight of 173.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-N,N-di(propan-2-yl)but-2-en-1-amine is sourced from PubChem (CID 84820316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).