(3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine

C9H16FN — CID 59048022

IUPAC(3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine
SMILESCN1C[C@@H](F)[C@@H](C2(C)CC2)C1
InChIInChI=1S/C9H16FN/c1-9(3-4-9)7-5-11(2)6-8(7)10/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyPCQHPOHMMRVQHZ-JGVFFNPUSA-N
MW157.23 g/mol
LogP1.69
Rot. Bonds1

About (3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine

(3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine (PubChem CID 59048022) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine
PubChem CID59048022
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine
SMILESCN1C[C@@H](F)[C@@H](C2(C)CC2)C1
InChIInChI=1S/C9H16FN/c1-9(3-4-9)7-5-11(2)6-8(7)10/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyPCQHPOHMMRVQHZ-JGVFFNPUSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine?
The IUPAC name of (3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine (CID 59048022) is (3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine.
What is the SMILES notation for (3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine?
The canonical SMILES for (3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine is CN1C[C@@H](F)[C@@H](C2(C)CC2)C1.
What is the InChIKey of (3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine?
The InChIKey is PCQHPOHMMRVQHZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16FN/c1-9(3-4-9)7-5-11(2)6-8(7)10/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine?
(3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine has a molecular weight of 157.23 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine is sourced from PubChem (CID 59048022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).