4,4-difluoro-2-propan-2-ylpyrrolidin-1-amine

C7H14F2N2 — CID 123290766

IUPAC4,4-difluoro-2-propan-2-ylpyrrolidin-1-amine
SMILESCC(C)C1CC(F)(F)CN1N
InChIInChI=1S/C7H14F2N2/c1-5(2)6-3-7(8,9)4-11(6)10/h5-6H,3-4,10H2,1-2H3
InChIKeyKCBIQWFDMHAZPW-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.23
Rot. Bonds1

About 4,4-difluoro-2-propan-2-ylpyrrolidin-1-amine

4,4-difluoro-2-propan-2-ylpyrrolidin-1-amine (PubChem CID 123290766) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4,4-difluoro-2-propan-2-ylpyrrolidin-1-amine.

Molecular Properties

Compound Name4,4-difluoro-2-propan-2-ylpyrrolidin-1-amine
PubChem CID123290766
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name4,4-difluoro-2-propan-2-ylpyrrolidin-1-amine
SMILESCC(C)C1CC(F)(F)CN1N
InChIInChI=1S/C7H14F2N2/c1-5(2)6-3-7(8,9)4-11(6)10/h5-6H,3-4,10H2,1-2H3
InChIKeyKCBIQWFDMHAZPW-UHFFFAOYSA-N
XLogP1.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

(2R)-4,4-difluoro-2-methylpyrrolidin-1-amine
CID 89010724
(S)-2-(Trifluoromethyl)pyrrolidin-1-amine
CID 89384826
4-Fluoro-2-propan-2-ylpyrrolidin-1-amine
CID 123700241
4,4-difluoro-N,N-dimethyl-2-propan-2-ylpyrrolidin-1-amine
CID 123801433
2-Ethyl-4,4-difluoropyrrolidin-1-amine
CID 129087031
1-(2,2-Difluoroethyl)-5-methyl-3-propan-2-ylpyrazolidine
CID 140573395
1-Methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazolidine
CID 140635648
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazolidine
CID 140642498
2-(Trifluoromethyl)pyrrolidin-1-amine
CID 143384400
4,4-Difluoro-2-methylpyrrolidin-1-amine
CID 144283140
(2R)-2-propyl-4-(trifluoromethyl)pyrrolidin-1-amine
CID 144977167
4,4-Difluoro-2-methylpyrrolidin-1-amine;ethane
CID 145391724

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-propan-2-ylpyrrolidin-1-amine?
The IUPAC name of 4,4-difluoro-2-propan-2-ylpyrrolidin-1-amine (CID 123290766) is 4,4-difluoro-2-propan-2-ylpyrrolidin-1-amine.
What is the SMILES notation for 4,4-difluoro-2-propan-2-ylpyrrolidin-1-amine?
The canonical SMILES for 4,4-difluoro-2-propan-2-ylpyrrolidin-1-amine is CC(C)C1CC(F)(F)CN1N.
What is the InChIKey of 4,4-difluoro-2-propan-2-ylpyrrolidin-1-amine?
The InChIKey is KCBIQWFDMHAZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-5(2)6-3-7(8,9)4-11(6)10/h5-6H,3-4,10H2,1-2H3.
What are the key properties of 4,4-difluoro-2-propan-2-ylpyrrolidin-1-amine?
4,4-difluoro-2-propan-2-ylpyrrolidin-1-amine has a molecular weight of 164.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-propan-2-ylpyrrolidin-1-amine is sourced from PubChem (CID 123290766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).