1-(2-ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol

C9H16FNO — CID 171827118

IUPAC1-(2-ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol
SMILESCCC1(C2(O)CC2)CC(F)CN1
InChIInChI=1S/C9H16FNO/c1-2-8(9(12)3-4-9)5-7(10)6-11-8/h7,11-12H,2-6H2,1H3
InChIKeyDLXPTQXDIBUUQN-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.99
Rot. Bonds2

About 1-(2-ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol

1-(2-ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol (PubChem CID 171827118) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-(2-ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(2-ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol
PubChem CID171827118
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name1-(2-ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol
SMILESCCC1(C2(O)CC2)CC(F)CN1
InChIInChI=1S/C9H16FNO/c1-2-8(9(12)3-4-9)5-7(10)6-11-8/h7,11-12H,2-6H2,1H3
InChIKeyDLXPTQXDIBUUQN-UHFFFAOYSA-N
XLogP0.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2-Diethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol
CID 166533988
1-[[[1-(Trifluoromethyl)cyclopropyl]amino]methyl]cyclopentan-1-ol
CID 106212556
6,6,6-Trifluoro-2-pyrrolidin-2-ylhexan-2-ol
CID 116535963
3-[(2S)-pyrrolidin-2-yl]pentan-3-ol
CID 10534938
2-[(2R)-2-methylpyrrolidin-2-yl]propan-2-ol
CID 14886375
(2S,3R)-3-cyclopropyl-2-isopropylpyrrolidin-3-ol
CID 59273011
(2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol
CID 59273036
3-Pyrrolidin-2-ylpentan-3-ol
CID 64088146
3-Methyl-2-pyrrolidin-2-ylbutan-2-ol
CID 64088369
2,4-dimethyl-3-[(2S)-pyrrolidin-2-yl]pentan-3-ol
CID 102183851
2-(2,4,4-Trimethylpyrrolidin-2-yl)propan-2-ol
CID 130292096
2,4-Dimethyl-3-pyrrolidin-2-ylpentan-3-ol
CID 130529019

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol?
The IUPAC name of 1-(2-ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol (CID 171827118) is 1-(2-ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(2-ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(2-ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol is CCC1(C2(O)CC2)CC(F)CN1.
What is the InChIKey of 1-(2-ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol?
The InChIKey is DLXPTQXDIBUUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-2-8(9(12)3-4-9)5-7(10)6-11-8/h7,11-12H,2-6H2,1H3.
What are the key properties of 1-(2-ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol?
1-(2-ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol has a molecular weight of 173.23 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol is sourced from PubChem (CID 171827118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).