3-tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine

C9H17FN2 — CID 18983451

IUPAC3-tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine
SMILESCC(C)(C)C1(CF)CN=C(N)C1
InChIInChI=1S/C9H17FN2/c1-8(2,3)9(5-10)4-7(11)12-6-9/h4-6H2,1-3H3,(H2,11,12)
InChIKeyBYMZIHSGONPOIF-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.75
Rot. Bonds1

About 3-tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine

3-tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine (PubChem CID 18983451) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine
PubChem CID18983451
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name3-tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine
SMILESCC(C)(C)C1(CF)CN=C(N)C1
InChIInChI=1S/C9H17FN2/c1-8(2,3)9(5-10)4-7(11)12-6-9/h4-6H2,1-3H3,(H2,11,12)
InChIKeyBYMZIHSGONPOIF-UHFFFAOYSA-N
XLogP1.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine?
The IUPAC name of 3-tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine (CID 18983451) is 3-tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine.
What is the SMILES notation for 3-tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine?
The canonical SMILES for 3-tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine is CC(C)(C)C1(CF)CN=C(N)C1.
What is the InChIKey of 3-tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine?
The InChIKey is BYMZIHSGONPOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-8(2,3)9(5-10)4-7(11)12-6-9/h4-6H2,1-3H3,(H2,11,12).
What are the key properties of 3-tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine?
3-tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine has a molecular weight of 172.25 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-(fluoromethyl)-2,4-dihydropyrrol-5-amine is sourced from PubChem (CID 18983451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).