(3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine

C11H14FN — CID 98774589

IUPAC(3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine
SMILESCc1ccccc1[C@@]1(F)CCNC1
InChIInChI=1S/C11H14FN/c1-9-4-2-3-5-10(9)11(12)6-7-13-8-11/h2-5,13H,6-8H2,1H3/t11-/m1/s1
InChIKeyIWMVHGCXCQGGBU-LLVKDONJSA-N
MW179.24 g/mol
LogP2.15
Rot. Bonds1

About (3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine

(3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine (PubChem CID 98774589) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine
PubChem CID98774589
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine
SMILESCc1ccccc1[C@@]1(F)CCNC1
InChIInChI=1S/C11H14FN/c1-9-4-2-3-5-10(9)11(12)6-7-13-8-11/h2-5,13H,6-8H2,1H3/t11-/m1/s1
InChIKeyIWMVHGCXCQGGBU-LLVKDONJSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-3-(2-methylphenyl)piperidine
CID 83818332
4-fluoro-4-(2-methylphenyl)piperidine
CID 69232265
2-(3-fluoropyrrolidin-3-yl)aniline
CID 105438750
4-(2-methylphenyl)piperidin-4-amine
CID 70261882
4-(2,5-dimethylphenyl)-4-fluoropiperidine
CID 112563134
3-fluoro-3-(2,4,5-trimethylphenyl)piperidine
CID 112562991
3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine
CID 112565649
4-fluoro-4-[2-(trifluoromethyl)phenyl]piperidine
CID 91662828
1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene
CID 84723182
4-fluoro-4-(2,4,5-trimethylphenyl)piperidine
CID 112563237
3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride
CID 115048909
(3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547144

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine?
The IUPAC name of (3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine (CID 98774589) is (3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine?
The canonical SMILES for (3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine is Cc1ccccc1[C@@]1(F)CCNC1.
What is the InChIKey of (3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine?
The InChIKey is IWMVHGCXCQGGBU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14FN/c1-9-4-2-3-5-10(9)11(12)6-7-13-8-11/h2-5,13H,6-8H2,1H3/t11-/m1/s1.
What are the key properties of (3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine?
(3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine has a molecular weight of 179.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-3-(2-methylphenyl)pyrrolidine is sourced from PubChem (CID 98774589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).