(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)-3,3-dimethylbut-1-en-2-amine

C10H17FN2 — CID 154673410

IUPAC(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)-3,3-dimethylbut-1-en-2-amine
SMILESCC(C)(C)/C(N)=C/C1=NCCC1F
InChIInChI=1S/C10H17FN2/c1-10(2,3)9(12)6-8-7(11)4-5-13-8/h6-7H,4-5,12H2,1-3H3/b9-6-
InChIKeyKLJCQDANJJGGCK-TWGQIWQCSA-N
MW184.26 g/mol
LogP2.06
Rot. Bonds1

About (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)-3,3-dimethylbut-1-en-2-amine

(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)-3,3-dimethylbut-1-en-2-amine (PubChem CID 154673410) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)-3,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)-3,3-dimethylbut-1-en-2-amine
PubChem CID154673410
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)-3,3-dimethylbut-1-en-2-amine
SMILESCC(C)(C)/C(N)=C/C1=NCCC1F
InChIInChI=1S/C10H17FN2/c1-10(2,3)9(12)6-8-7(11)4-5-13-8/h6-7H,4-5,12H2,1-3H3/b9-6-
InChIKeyKLJCQDANJJGGCK-TWGQIWQCSA-N
XLogP2.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)-3,3-dimethylbut-1-en-2-amine?
The IUPAC name of (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)-3,3-dimethylbut-1-en-2-amine (CID 154673410) is (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)-3,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)-3,3-dimethylbut-1-en-2-amine?
The canonical SMILES for (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)-3,3-dimethylbut-1-en-2-amine is CC(C)(C)/C(N)=C/C1=NCCC1F.
What is the InChIKey of (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)-3,3-dimethylbut-1-en-2-amine?
The InChIKey is KLJCQDANJJGGCK-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H17FN2/c1-10(2,3)9(12)6-8-7(11)4-5-13-8/h6-7H,4-5,12H2,1-3H3/b9-6-.
What are the key properties of (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)-3,3-dimethylbut-1-en-2-amine?
(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)-3,3-dimethylbut-1-en-2-amine has a molecular weight of 184.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)-3,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 154673410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).