3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine

C10H19F2N — CID 115058342

IUPAC3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine
SMILESCC(C)(C)CC(F)(F)C1CCNC1
InChIInChI=1S/C10H19F2N/c1-9(2,3)7-10(11,12)8-4-5-13-6-8/h8,13H,4-7H2,1-3H3
InChIKeySJDMPYIQRLVPLD-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.67
Rot. Bonds2

About 3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine

3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine (PubChem CID 115058342) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine.

Molecular Properties

Compound Name3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine
PubChem CID115058342
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine
SMILESCC(C)(C)CC(F)(F)C1CCNC1
InChIInChI=1S/C10H19F2N/c1-9(2,3)7-10(11,12)8-4-5-13-6-8/h8,13H,4-7H2,1-3H3
InChIKeySJDMPYIQRLVPLD-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(1,1-difluoroethyl)pyrrolidine
CID 154810011
3-(1,1-difluoro-3-methylbutyl)pyrrolidine
CID 105436998
3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine
CID 105435897
3-(2-fluorobut-3-yn-2-yl)pyrrolidine
CID 127016517
3-fluoro-3-pyrrolidin-3-ylbutanoic acid
CID 105436039
ethane;3-methyl-5-(2,4,4-trimethylpentan-2-yl)azepane
CID 143027362
3-(1,1-difluoropropyl)piperidine;hydrochloride
CID 115058466
2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane
CID 160675736
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462
3-(5-methyldecan-5-yl)pyrrolidine
CID 139342176
2-pyrrolidin-3-ylbutan-2-ol
CID 105428542
3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride
CID 115058424

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine?
The IUPAC name of 3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine (CID 115058342) is 3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine.
What is the SMILES notation for 3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine?
The canonical SMILES for 3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine is CC(C)(C)CC(F)(F)C1CCNC1.
What is the InChIKey of 3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine?
The InChIKey is SJDMPYIQRLVPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-9(2,3)7-10(11,12)8-4-5-13-6-8/h8,13H,4-7H2,1-3H3.
What are the key properties of 3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine?
3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine has a molecular weight of 191.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine is sourced from PubChem (CID 115058342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).