[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl] N-(morpholin-3-ylmethyl)carbamate

C16H18F4N2O3 — CID 155146232

IUPAC[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl] N-(morpholin-3-ylmethyl)carbamate
SMILESO=C(NCC1COCCN1)OC1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H18F4N2O3/c17-13-2-1-10(7-12(13)16(18,19)20)15(3-4-15)25-14(23)22-8-11-9-24-6-5-21-11/h1-2,7,11,21H,3-6,8-9H2,(H,22,23)
InChIKeyLVCOMAZLPPLDNG-UHFFFAOYSA-N
MW362.32 g/mol
LogP2.55
Rot. Bonds4

About [1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl] N-(morpholin-3-ylmethyl)carbamate

[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl] N-(morpholin-3-ylmethyl)carbamate (PubChem CID 155146232) has the molecular formula C16H18F4N2O3 and a molecular weight of 362.32 g/mol. Its IUPAC name is [1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl] N-(morpholin-3-ylmethyl)carbamate.

Molecular Properties

Compound Name[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl] N-(morpholin-3-ylmethyl)carbamate
PubChem CID155146232
Molecular FormulaC16H18F4N2O3
Molecular Weight362.32 g/mol
Exact Mass362.13
IUPAC Name[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl] N-(morpholin-3-ylmethyl)carbamate
SMILESO=C(NCC1COCCN1)OC1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H18F4N2O3/c17-13-2-1-10(7-12(13)16(18,19)20)15(3-4-15)25-14(23)22-8-11-9-24-6-5-21-11/h1-2,7,11,21H,3-6,8-9H2,(H,22,23)
InChIKeyLVCOMAZLPPLDNG-UHFFFAOYSA-N
XLogP2.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548729
4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548342
N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103548442
2-fluoro-6-hydroxy-N-(morpholin-3-ylmethyl)benzamide
CID 107016112
benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride
CID 137346986
1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea
CID 103548785
2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103548886
2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide
CID 103548414
morpholin-3-ylmethylurea
CID 103548775
N-[[(3S)-morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 129307656
2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548347
3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548275

Frequently Asked Questions

What is the IUPAC name of [1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl] N-(morpholin-3-ylmethyl)carbamate?
The IUPAC name of [1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl] N-(morpholin-3-ylmethyl)carbamate (CID 155146232) is [1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl] N-(morpholin-3-ylmethyl)carbamate.
What is the SMILES notation for [1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl] N-(morpholin-3-ylmethyl)carbamate?
The canonical SMILES for [1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl] N-(morpholin-3-ylmethyl)carbamate is O=C(NCC1COCCN1)OC1(c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of [1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl] N-(morpholin-3-ylmethyl)carbamate?
The InChIKey is LVCOMAZLPPLDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N2O3/c17-13-2-1-10(7-12(13)16(18,19)20)15(3-4-15)25-14(23)22-8-11-9-24-6-5-21-11/h1-2,7,11,21H,3-6,8-9H2,(H,22,23).
What are the key properties of [1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl] N-(morpholin-3-ylmethyl)carbamate?
[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl] N-(morpholin-3-ylmethyl)carbamate has a molecular weight of 362.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl] N-(morpholin-3-ylmethyl)carbamate is sourced from PubChem (CID 155146232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).