3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine

C17H17ClFNO — CID 75057732

IUPAC3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
SMILESFc1cc(Cl)ccc1OC(c1ccccc1)C1CCNC1
InChIInChI=1S/C17H17ClFNO/c18-14-6-7-16(15(19)10-14)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2
InChIKeyQFQJPPPPEDIVLD-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.21
Rot. Bonds4

About 3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine

3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine (PubChem CID 75057732) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
PubChem CID75057732
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
SMILESFc1cc(Cl)ccc1OC(c1ccccc1)C1CCNC1
InChIInChI=1S/C17H17ClFNO/c18-14-6-7-16(15(19)10-14)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2
InChIKeyQFQJPPPPEDIVLD-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 66924540
3-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-5-fluoropyridine
CID 66752232
(3R)-3-[(S)-phenyl-(2,3,5-trichlorophenoxy)methyl]pyrrolidine
CID 71562715
2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
CID 68597322
(3S)-3-[phenyl-(2,4,6-trifluorophenoxy)methyl]pyrrolidine
CID 66924710
2,6-dichloro-3-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 87135499
3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine
CID 76807736
3-[(1S)-1-(4-chloro-2-fluorophenoxy)propyl]pyrrolidine
CID 66891945
2-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66753273
2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752141
(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562371
2,3,5-trifluoro-6-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 66753077

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine?
The IUPAC name of 3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine (CID 75057732) is 3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine?
The canonical SMILES for 3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine is Fc1cc(Cl)ccc1OC(c1ccccc1)C1CCNC1.
What is the InChIKey of 3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine?
The InChIKey is QFQJPPPPEDIVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c18-14-6-7-16(15(19)10-14)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2.
What are the key properties of 3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine?
3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine has a molecular weight of 305.78 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine is sourced from PubChem (CID 75057732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).