1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine

C9H18F2N2 — CID 67772322

IUPAC1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine
SMILESCC(C)C(N)CN1CCC(F)(F)C1
InChIInChI=1S/C9H18F2N2/c1-7(2)8(12)5-13-4-3-9(10,11)6-13/h7-8H,3-6,12H2,1-2H3
InChIKeyMWNCXTQXGHLAIU-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.31
Rot. Bonds3

About 1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine

1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine (PubChem CID 67772322) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine
PubChem CID67772322
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine
SMILESCC(C)C(N)CN1CCC(F)(F)C1
InChIInChI=1S/C9H18F2N2/c1-7(2)8(12)5-13-4-3-9(10,11)6-13/h7-8H,3-6,12H2,1-2H3
InChIKeyMWNCXTQXGHLAIU-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-1-(propan-2-yl)pyrrolidin-3-amine
CID 58030188
3-Methyl-2-(pyrrolidin-1-yl)butan-1-amine
CID 43176112
3-Methyl-1-(pyrrolidin-1-yl)butan-2-amine
CID 21683211
Ethyl((pyrrolidin-3-yl)methyl)(2,2,2-trifluoroethyl)amine
CID 62370721
4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-amine
CID 91910919
4-(Fluoromethyl)-1-methylpyrrolidin-3-amine
CID 22955360
4-(Difluoromethyl)pyrrolidin-3-amine
CID 23149665
4-(Trifluoromethyl)pyrrolidin-3-amine
CID 53696855
1-tert-butyl-N-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 58364980
1-tert-butyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 58365066
(4-Fluoro-1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 59526805
(3S,4R)-1-methanidyl-4-(trifluoromethyl)pyrrolidin-1-ium-3-amine
CID 59704488

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine?
The IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine (CID 67772322) is 1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine is CC(C)C(N)CN1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine?
The InChIKey is MWNCXTQXGHLAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-7(2)8(12)5-13-4-3-9(10,11)6-13/h7-8H,3-6,12H2,1-2H3.
What are the key properties of 1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine?
1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine has a molecular weight of 192.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 67772322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).