(3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine

C11H23FN2 — CID 177078737

IUPAC(3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1C[C@@H](F)[C@H](NC(C)(C)C)C1
InChIInChI=1S/C11H23FN2/c1-8(2)14-6-9(12)10(7-14)13-11(3,4)5/h8-10,13H,6-7H2,1-5H3/t9-,10-/m1/s1
InChIKeyMXYNBDCXLRHZSI-NXEZZACHSA-N
MW202.32 g/mol
LogP1.81
Rot. Bonds2

About (3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine

(3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 177078737) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is (3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine
PubChem CID177078737
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name(3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1C[C@@H](F)[C@H](NC(C)(C)C)C1
InChIInChI=1S/C11H23FN2/c1-8(2)14-6-9(12)10(7-14)13-11(3,4)5/h8-10,13H,6-7H2,1-5H3/t9-,10-/m1/s1
InChIKeyMXYNBDCXLRHZSI-NXEZZACHSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 167501461
(3R,4S)-4-fluoro-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 177078816
ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine
CID 142347878
(3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine
CID 168909805
[(4R,5S)-4,5-difluoro-1-propan-2-ylpiperidin-3-yl]silane
CID 174073343
(3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine
CID 176851982
6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
(3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine
CID 165388181
3-(fluoromethyl)-1-propan-2-ylazetidine
CID 118375071
N-methyl-1-propan-2-ylazetidin-3-amine
CID 22952913
(3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine
CID 167278579
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine (CID 177078737) is (3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1C[C@@H](F)[C@H](NC(C)(C)C)C1.
What is the InChIKey of (3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is MXYNBDCXLRHZSI-NXEZZACHSA-N. The full InChI is InChI=1S/C11H23FN2/c1-8(2)14-6-9(12)10(7-14)13-11(3,4)5/h8-10,13H,6-7H2,1-5H3/t9-,10-/m1/s1.
What are the key properties of (3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine?
(3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 202.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 177078737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).