3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine

C14H19F2N — CID 116991916

IUPAC3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine
SMILESCCC(F)(F)c1ccc(CC2CCNC2)cc1
InChIInChI=1S/C14H19F2N/c1-2-14(15,16)13-5-3-11(4-6-13)9-12-7-8-17-10-12/h3-6,12,17H,2,7-10H2,1H3
InChIKeyJEHQWNGCTDGSOF-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.34
Rot. Bonds4

About 3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine

3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine (PubChem CID 116991916) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine
PubChem CID116991916
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine
SMILESCCC(F)(F)c1ccc(CC2CCNC2)cc1
InChIInChI=1S/C14H19F2N/c1-2-14(15,16)13-5-3-11(4-6-13)9-12-7-8-17-10-12/h3-6,12,17H,2,7-10H2,1H3
InChIKeyJEHQWNGCTDGSOF-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
3-[[4-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
CID 84799771
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
3-[[4-(trifluoromethyl)phenyl]methyl]azetidine;hydrochloride
CID 47002379
4-(pyrrolidin-3-ylmethyl)benzaldehyde
CID 105443694
3-[4-(1,1-difluoropropyl)phenyl]azetidine
CID 116991909
2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetic acid
CID 115031443
3-[(4-ethylsulfanylphenyl)methyl]piperidine
CID 82496706
3-(thiophen-3-ylmethyl)pyrrolidine
CID 83682618
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84807242

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine (CID 116991916) is 3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine is CCC(F)(F)c1ccc(CC2CCNC2)cc1.
What is the InChIKey of 3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine?
The InChIKey is JEHQWNGCTDGSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-2-14(15,16)13-5-3-11(4-6-13)9-12-7-8-17-10-12/h3-6,12,17H,2,7-10H2,1H3.
What are the key properties of 3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine?
3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine has a molecular weight of 239.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 116991916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).