4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine

C14H17ClFNO — CID 131930506

IUPAC4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine
SMILESFc1cc(Cl)ccc1CN1CCOC(C2CC2)C1
InChIInChI=1S/C14H17ClFNO/c15-12-4-3-11(13(16)7-12)8-17-5-6-18-14(9-17)10-1-2-10/h3-4,7,10,14H,1-2,5-6,8-9H2
InChIKeyBEOIJRIHLSZSFB-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.09
Rot. Bonds3

About 4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine

4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine (PubChem CID 131930506) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine
PubChem CID131930506
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine
SMILESFc1cc(Cl)ccc1CN1CCOC(C2CC2)C1
InChIInChI=1S/C14H17ClFNO/c15-12-4-3-11(13(16)7-12)8-17-5-6-18-14(9-17)10-1-2-10/h3-4,7,10,14H,1-2,5-6,8-9H2
InChIKeyBEOIJRIHLSZSFB-UHFFFAOYSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 105357465
3-[(4-chloro-2-fluorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120841985
(3S,4R)-1-[(4-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 134714356
(2R)-4-[(2-chloro-5-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]morpholine
CID 124830182
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 114858032
(5S,6S)-8-[(4-chloro-2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110159623
3-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]aniline
CID 178034876
4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
CID 81212861
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
(4aR,8aR)-6-[(2,4,5-trifluorophenyl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 97159790
4-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide
CID 103046739

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine (CID 131930506) is 4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine is Fc1cc(Cl)ccc1CN1CCOC(C2CC2)C1.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine?
The InChIKey is BEOIJRIHLSZSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-12-4-3-11(13(16)7-12)8-17-5-6-18-14(9-17)10-1-2-10/h3-4,7,10,14H,1-2,5-6,8-9H2.
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine?
4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine has a molecular weight of 269.75 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropylmorpholine is sourced from PubChem (CID 131930506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).