difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate

C18H18F3NO3 — CID 126515964

IUPACdifluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate
SMILESCCc1ccc(OCc2cc(F)ccc2NC(=O)OC(F)F)c(C)c1
InChIInChI=1S/C18H18F3NO3/c1-3-12-4-7-16(11(2)8-12)24-10-13-9-14(19)5-6-15(13)22-18(23)25-17(20)21/h4-9,17H,3,10H2,1-2H3,(H,22,23)
InChIKeyJHOIBNIQDKBGSI-UHFFFAOYSA-N
MW353.34 g/mol
LogP5.05
Rot. Bonds6

About difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate

difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate (PubChem CID 126515964) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate.

Molecular Properties

Compound Namedifluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate
PubChem CID126515964
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Namedifluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate
SMILESCCc1ccc(OCc2cc(F)ccc2NC(=O)OC(F)F)c(C)c1
InChIInChI=1S/C18H18F3NO3/c1-3-12-4-7-16(11(2)8-12)24-10-13-9-14(19)5-6-15(13)22-18(23)25-17(20)21/h4-9,17H,3,10H2,1-2H3,(H,22,23)
InChIKeyJHOIBNIQDKBGSI-UHFFFAOYSA-N
XLogP5.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.34
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]carbamate
CID 126589188
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 129039328
difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 129039570
difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]carbamate
CID 129039540
N-[1-(difluoromethoxy)ethenyl]-4-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]aniline
CID 126515849
methyl N-[4-bromo-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589168
1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515913
difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589148
ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589055
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide
CID 126588569
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide
CID 126588571
S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]carbamothioate
CID 126587970

Frequently Asked Questions

What is the IUPAC name of difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate?
The IUPAC name of difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate (CID 126515964) is difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate.
What is the SMILES notation for difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate?
The canonical SMILES for difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate is CCc1ccc(OCc2cc(F)ccc2NC(=O)OC(F)F)c(C)c1.
What is the InChIKey of difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate?
The InChIKey is JHOIBNIQDKBGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-3-12-4-7-16(11(2)8-12)24-10-13-9-14(19)5-6-15(13)22-18(23)25-17(20)21/h4-9,17H,3,10H2,1-2H3,(H,22,23).
What are the key properties of difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate?
difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate has a molecular weight of 353.34 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate is sourced from PubChem (CID 126515964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).