(3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine

C14H17ClFNO — CID 66848895

IUPAC(3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine
SMILESFc1ccc(OC(C2CC2)[C@@H]2CCNC2)cc1Cl
InChIInChI=1S/C14H17ClFNO/c15-12-7-11(3-4-13(12)16)18-14(9-1-2-9)10-5-6-17-8-10/h3-4,7,9-10,14,17H,1-2,5-6,8H2/t10-,14?/m1/s1
InChIKeyWMTIMFOMDMUGBQ-IAPIXIRKSA-N
MW269.75 g/mol
LogP3.25
Rot. Bonds4

About (3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine

(3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine (PubChem CID 66848895) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is (3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine
PubChem CID66848895
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name(3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine
SMILESFc1ccc(OC(C2CC2)[C@@H]2CCNC2)cc1Cl
InChIInChI=1S/C14H17ClFNO/c15-12-7-11(3-4-13(12)16)18-14(9-1-2-9)10-5-6-17-8-10/h3-4,7,9-10,14,17H,1-2,5-6,8H2/t10-,14?/m1/s1
InChIKeyWMTIMFOMDMUGBQ-IAPIXIRKSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-3-[(S)-(3,5-dichlorophenoxy)phenylmethyl]pyrrolidine
CID 44625571
(3R)-3-[(S)-(3-chlorophenoxy)-phenylmethyl]pyrrolidine
CID 71562376
3-(3-Chlorophenoxy)-8-azabicyclo[3.2.1]octane
CID 11230136
(3S)-3-[(R)-(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
CID 44625567
(3S)-3-[(R)-(3,5-dichlorophenoxy)-phenylmethyl]pyrrolidine
CID 71562588
exo-(1R,5S)-3-(3-chlorophenoxy)-8-azabicyclo[3.2.1]octane
CID 53320864
(3S)-3-[(R)-(3-chlorophenoxy)-phenylmethyl]pyrrolidine
CID 71562375
(3S)-3-[(R)-(4-chlorophenoxy)-phenylmethyl]pyrrolidine
CID 71562377
(3R)-3-[(S)-(4-chlorophenoxy)-phenylmethyl]pyrrolidine
CID 71562472
(3S)-3-[(R)-(2-chloro-4-fluorophenoxy)-phenylmethyl]pyrrolidine
CID 71562591
N-[3-(3-chlorophenoxy)propyl]-1-butanamine
CID 2250946
3-[2-(3-Chlorophenoxy)-2-(3,4-difluorophenyl)ethyl]azetidine
CID 118706547

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine?
The IUPAC name of (3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine (CID 66848895) is (3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine?
The canonical SMILES for (3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine is Fc1ccc(OC(C2CC2)[C@@H]2CCNC2)cc1Cl.
What is the InChIKey of (3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine?
The InChIKey is WMTIMFOMDMUGBQ-IAPIXIRKSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-12-7-11(3-4-13(12)16)18-14(9-1-2-9)10-5-6-17-8-10/h3-4,7,9-10,14,17H,1-2,5-6,8H2/t10-,14?/m1/s1.
What are the key properties of (3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine?
(3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine has a molecular weight of 269.75 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine is sourced from PubChem (CID 66848895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).