(2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane

C12H26FN — CID 165013816

IUPAC(2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane
SMILESC.CC(C)(C)C[C@@H]1CCCN1CCF
InChIInChI=1S/C11H22FN.CH4/c1-11(2,3)9-10-5-4-7-13(10)8-6-12;/h10H,4-9H2,1-3H3;1H4/t10-;/m0./s1
InChIKeyKCHHFXCAICNUSX-PPHPATTJSA-N
MW203.34 g/mol
LogP3.49
Rot. Bonds3

About (2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane

(2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane (PubChem CID 165013816) has the molecular formula C12H26FN and a molecular weight of 203.34 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane
PubChem CID165013816
Molecular FormulaC12H26FN
Molecular Weight203.34 g/mol
Exact Mass203.20
IUPAC Name(2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane
SMILESC.CC(C)(C)C[C@@H]1CCCN1CCF
InChIInChI=1S/C11H22FN.CH4/c1-11(2,3)9-10-5-4-7-13(10)8-6-12;/h10H,4-9H2,1-3H3;1H4/t10-;/m0./s1
InChIKeyKCHHFXCAICNUSX-PPHPATTJSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
CID 164922093
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile
CID 126988793
2-[1-(2-fluoroethyl)piperidin-2-yl]ethanamine
CID 80695108
2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid
CID 58530414
N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 80695736
(2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine
CID 58874495
1-[1-(2-fluoroethyl)piperidin-2-yl]propan-2-one
CID 80695193
N-[[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581816
2-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 80675460
2-ethyl-1-(2-fluoroethyl)azetidine
CID 130677041
3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281651

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane?
The IUPAC name of (2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane (CID 165013816) is (2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane?
The canonical SMILES for (2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane is C.CC(C)(C)C[C@@H]1CCCN1CCF.
What is the InChIKey of (2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane?
The InChIKey is KCHHFXCAICNUSX-PPHPATTJSA-N. The full InChI is InChI=1S/C11H22FN.CH4/c1-11(2,3)9-10-5-4-7-13(10)8-6-12;/h10H,4-9H2,1-3H3;1H4/t10-;/m0./s1.
What are the key properties of (2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane?
(2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane has a molecular weight of 203.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane is sourced from PubChem (CID 165013816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).