3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine

C14H17F2N — CID 116992340

IUPAC3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine
SMILESFC(F)(c1ccc(C2CCNC2)cc1)C1CC1
InChIInChI=1S/C14H17F2N/c15-14(16,13-5-6-13)12-3-1-10(2-4-12)11-7-8-17-9-11/h1-4,11,13,17H,5-9H2
InChIKeyMCPCXDKEJDTBOS-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.27
Rot. Bonds3

About 3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine

3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine (PubChem CID 116992340) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is 3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine
PubChem CID116992340
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine
SMILESFC(F)(c1ccc(C2CCNC2)cc1)C1CC1
InChIInChI=1S/C14H17F2N/c15-14(16,13-5-6-13)12-3-1-10(2-4-12)11-7-8-17-9-11/h1-4,11,13,17H,5-9H2
InChIKeyMCPCXDKEJDTBOS-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-[cyclopropyl(difluoro)methyl]phenyl]azetidine
CID 116992338
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262
3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine
CID 116992772
2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine
CID 84786353
3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]pyrrolidine
CID 117403115
3-(4-tert-butylphenyl)piperidine
CID 24904200
(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride
CID 71742220
3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 83808419
3-[difluoro-(4-methylsulfanylphenyl)methyl]pyrrolidine
CID 116839106

Frequently Asked Questions

What is the IUPAC name of 3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine?
The IUPAC name of 3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine (CID 116992340) is 3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine.
What is the SMILES notation for 3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine?
The canonical SMILES for 3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine is FC(F)(c1ccc(C2CCNC2)cc1)C1CC1.
What is the InChIKey of 3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine?
The InChIKey is MCPCXDKEJDTBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c15-14(16,13-5-6-13)12-3-1-10(2-4-12)11-7-8-17-9-11/h1-4,11,13,17H,5-9H2.
What are the key properties of 3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine?
3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine has a molecular weight of 237.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine is sourced from PubChem (CID 116992340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).