1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine

C10H20F2N2 — CID 58364980

IUPAC1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine
SMILESCC(C)(C)N1CCC(NCC(F)F)C1
InChIInChI=1S/C10H20F2N2/c1-10(2,3)14-5-4-8(7-14)13-6-9(11)12/h8-9,13H,4-7H2,1-3H3
InChIKeyAZTQKDGWLHPKSM-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.71
Rot. Bonds3

About 1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine

1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine (PubChem CID 58364980) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine
PubChem CID58364980
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine
SMILESCC(C)(C)N1CCC(NCC(F)F)C1
InChIInChI=1S/C10H20F2N2/c1-10(2,3)14-5-4-8(7-14)13-6-9(11)12/h8-9,13H,4-7H2,1-3H3
InChIKeyAZTQKDGWLHPKSM-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Diethylamino)pyrrolidine
CID 19961995
1-(2,2,2-Trifluoroethyl)pyrrolidin-3-amine
CID 43315255
1-(2,2-Difluoroethyl)pyrrolidin-3-amine
CID 62067703
N,1-Diethylpyrrolidin-3-amine
CID 14153712
1-Tert-butylpyrrolidin-3-amine
CID 20628330
N-tert-butyl-N-methylpyrrolidin-3-amine
CID 57657116
1-methyl-N-(2-methylpropyl)pyrrolidin-3-amine
CID 61461794
(3R)-4,4-difluoro-N,N-dimethylpyrrolidin-3-amine dihydrochloride
CID 165690050
N,N-dimethyl-3-(trifluoromethyl)pyrrolidin-3-amine dihydrochloride
CID 165881814
3-(difluoromethyl)-N,N-dimethylpyrrolidin-3-amine dihydrochloride
CID 165888303
N-[2-(3-fluoropyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 21030131
N-(1,1,2-trifluoroethyl)pyrrolidin-3-amine
CID 23064898

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine?
The IUPAC name of 1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine (CID 58364980) is 1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine is CC(C)(C)N1CCC(NCC(F)F)C1.
What is the InChIKey of 1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine?
The InChIKey is AZTQKDGWLHPKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-10(2,3)14-5-4-8(7-14)13-6-9(11)12/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine?
1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine has a molecular weight of 206.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 58364980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).