3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine

C16H21F2N — CID 116840188

IUPAC3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine
SMILESFC(F)(CC1CCNC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H21F2N/c17-16(18,10-12-7-8-19-11-12)15-6-5-13-3-1-2-4-14(13)9-15/h5-6,9,12,19H,1-4,7-8,10-11H2
InChIKeyIVACSEDHGUKXAL-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.66
Rot. Bonds3

About 3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine

3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine (PubChem CID 116840188) has the molecular formula C16H21F2N and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine
PubChem CID116840188
Molecular FormulaC16H21F2N
Molecular Weight265.35 g/mol
Exact Mass265.16
IUPAC Name3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine
SMILESFC(F)(CC1CCNC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H21F2N/c17-16(18,10-12-7-8-19-11-12)15-6-5-13-3-1-2-4-14(13)9-15/h5-6,9,12,19H,1-4,7-8,10-11H2
InChIKeyIVACSEDHGUKXAL-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]pyrrolidine
CID 116840192
3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine
CID 116840190
5-(1,1-difluoro-2-pyrrolidin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116840235
3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840215
3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 116838499
3-(2,2-difluoro-2-phenylethyl)piperidine
CID 116790999
4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine
CID 116840354
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine
CID 116840363
1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606081
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine
CID 116991916

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine?
The IUPAC name of 3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine (CID 116840188) is 3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine is FC(F)(CC1CCNC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine?
The InChIKey is IVACSEDHGUKXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N/c17-16(18,10-12-7-8-19-11-12)15-6-5-13-3-1-2-4-14(13)9-15/h5-6,9,12,19H,1-4,7-8,10-11H2.
What are the key properties of 3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine?
3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine has a molecular weight of 265.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 116840188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).