difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate

C18H17F4NO3 — CID 129039570

IUPACdifluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
SMILESCc1ccc(OCc2cc(C(F)F)ccc2NC(=O)OC(F)F)c(C)c1
InChIInChI=1S/C18H17F4NO3/c1-10-3-6-15(11(2)7-10)25-9-13-8-12(16(19)20)4-5-14(13)23-18(24)26-17(21)22/h3-8,16-17H,9H2,1-2H3,(H,23,24)
InChIKeyJMGHKDJOQQRMQB-UHFFFAOYSA-N
MW371.33 g/mol
LogP5.59
Rot. Bonds6

About difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate

difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate (PubChem CID 129039570) has the molecular formula C18H17F4NO3 and a molecular weight of 371.33 g/mol. Its IUPAC name is difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate.

Molecular Properties

Compound Namedifluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
PubChem CID129039570
Molecular FormulaC18H17F4NO3
Molecular Weight371.33 g/mol
Exact Mass371.11
IUPAC Namedifluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
SMILESCc1ccc(OCc2cc(C(F)F)ccc2NC(=O)OC(F)F)c(C)c1
InChIInChI=1S/C18H17F4NO3/c1-10-3-6-15(11(2)7-10)25-9-13-8-12(16(19)20)4-5-14(13)23-18(24)26-17(21)22/h3-8,16-17H,9H2,1-2H3,(H,23,24)
InChIKeyJMGHKDJOQQRMQB-UHFFFAOYSA-N
XLogP5.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.33
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]carbamate
CID 129039540
methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate
CID 129039211
difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate
CID 129039832
difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 126515964
N-[1-(difluoromethoxy)ethenyl]-4-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]aniline
CID 126515849
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
ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate
CID 158192195
S-methyl N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamothioate
CID 129039729
N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039598
S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamothioate
CID 129039735
O-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-methoxyphenyl]carbamothioate
CID 129039222

Frequently Asked Questions

What is the IUPAC name of difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate?
The IUPAC name of difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate (CID 129039570) is difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate.
What is the SMILES notation for difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate?
The canonical SMILES for difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate is Cc1ccc(OCc2cc(C(F)F)ccc2NC(=O)OC(F)F)c(C)c1.
What is the InChIKey of difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate?
The InChIKey is JMGHKDJOQQRMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4NO3/c1-10-3-6-15(11(2)7-10)25-9-13-8-12(16(19)20)4-5-14(13)23-18(24)26-17(21)22/h3-8,16-17H,9H2,1-2H3,(H,23,24).
What are the key properties of difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate?
difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate has a molecular weight of 371.33 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate is sourced from PubChem (CID 129039570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).