(2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine

C8H16FNO — CID 99994990

IUPAC(2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine
SMILESCC[C@H]1C[C@H](OCCF)CN1
InChIInChI=1S/C8H16FNO/c1-2-7-5-8(6-10-7)11-4-3-9/h7-8,10H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyBRRBGJQJLGQAHL-YUMQZZPRSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds4

About (2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine

(2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine (PubChem CID 99994990) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine.

Molecular Properties

Compound Name(2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine
PubChem CID99994990
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine
SMILESCC[C@H]1C[C@H](OCCF)CN1
InChIInChI=1S/C8H16FNO/c1-2-7-5-8(6-10-7)11-4-3-9/h7-8,10H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyBRRBGJQJLGQAHL-YUMQZZPRSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Isopropyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 263171
(2S,4S)-2-(fluoromethyl)-4-methoxypyrrolidine hydrochloride
CID 137838555
(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine hydrochloride
CID 146049396
(2S,4R)-4-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 57326560
(2S,4S)-2-(ethoxymethyl)-4-fluoro-1-methanidylpyrrolidin-1-ium
CID 57868284
CID 59892777
CID 59892777
2-(1,1,1-Trifluoropropan-2-yloxymethyl)pyrrolidine
CID 66274591
(2S,4S)-2-(ethoxymethyl)-4-fluoropyrrolidine
CID 66596454
2-Methyl-4-(trifluoromethoxy)pyrrolidine
CID 68562745
2-(Ethoxymethyl)-4-fluoropyrrolidine
CID 77151097
(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine
CID 86724497
2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxymethyl)pyrrolidine
CID 91802907

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine?
The IUPAC name of (2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine (CID 99994990) is (2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine.
What is the SMILES notation for (2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine?
The canonical SMILES for (2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine is CC[C@H]1C[C@H](OCCF)CN1.
What is the InChIKey of (2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine?
The InChIKey is BRRBGJQJLGQAHL-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-7-5-8(6-10-7)11-4-3-9/h7-8,10H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine?
(2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-ethyl-4-(2-fluoroethoxy)pyrrolidine is sourced from PubChem (CID 99994990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).