[4-(4,4,4-trifluoro-2-methylbutan-2-yl)phenyl] carbamate

C12H14F3NO2 — CID 67039044

IUPAC[4-(4,4,4-trifluoro-2-methylbutan-2-yl)phenyl] carbamate
SMILESCC(C)(CC(F)(F)F)c1ccc(OC(N)=O)cc1
InChIInChI=1S/C12H14F3NO2/c1-11(2,7-12(13,14)15)8-3-5-9(6-4-8)18-10(16)17/h3-6H,7H2,1-2H3,(H2,16,17)
InChIKeyYUPVITRKLUGMPW-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.37
Rot. Bonds3

About [4-(4,4,4-trifluoro-2-methylbutan-2-yl)phenyl] carbamate

[4-(4,4,4-trifluoro-2-methylbutan-2-yl)phenyl] carbamate (PubChem CID 67039044) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is [4-(4,4,4-trifluoro-2-methylbutan-2-yl)phenyl] carbamate.

Molecular Properties

Compound Name[4-(4,4,4-trifluoro-2-methylbutan-2-yl)phenyl] carbamate
PubChem CID67039044
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name[4-(4,4,4-trifluoro-2-methylbutan-2-yl)phenyl] carbamate
SMILESCC(C)(CC(F)(F)F)c1ccc(OC(N)=O)cc1
InChIInChI=1S/C12H14F3NO2/c1-11(2,7-12(13,14)15)8-3-5-9(6-4-8)18-10(16)17/h3-6H,7H2,1-2H3,(H2,16,17)
InChIKeyYUPVITRKLUGMPW-UHFFFAOYSA-N
XLogP3.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

M-Cumenyl Methylcarbamate
CID 6143
Diphenan
CID 7572
Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)
CID 13072
Paxamate
CID 71210
4''-(Trifluoromethyl)-4-biphenylyl carbamate
CID 23626139
p-tert-Butylphenyl methylcarbamate
CID 75814
Phenol, m-tert-butyl-, dimethylcarbamate
CID 212537
4-(Butan-2-yl)phenyl hydrogen methylcarbonimidate
CID 58007
3-(Trifluoromethyl)phenyl methylcarbamate
CID 267978
Carbamic acid, m-tolyl ester
CID 36380
2-(Butan-2-yl)phenyl hydrogen carbonimidate
CID 43522
Carbamic acid, 2,3-xylyl ester
CID 60396

Frequently Asked Questions

What is the IUPAC name of [4-(4,4,4-trifluoro-2-methylbutan-2-yl)phenyl] carbamate?
The IUPAC name of [4-(4,4,4-trifluoro-2-methylbutan-2-yl)phenyl] carbamate (CID 67039044) is [4-(4,4,4-trifluoro-2-methylbutan-2-yl)phenyl] carbamate.
What is the SMILES notation for [4-(4,4,4-trifluoro-2-methylbutan-2-yl)phenyl] carbamate?
The canonical SMILES for [4-(4,4,4-trifluoro-2-methylbutan-2-yl)phenyl] carbamate is CC(C)(CC(F)(F)F)c1ccc(OC(N)=O)cc1.
What is the InChIKey of [4-(4,4,4-trifluoro-2-methylbutan-2-yl)phenyl] carbamate?
The InChIKey is YUPVITRKLUGMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-11(2,7-12(13,14)15)8-3-5-9(6-4-8)18-10(16)17/h3-6H,7H2,1-2H3,(H2,16,17).
What are the key properties of [4-(4,4,4-trifluoro-2-methylbutan-2-yl)phenyl] carbamate?
[4-(4,4,4-trifluoro-2-methylbutan-2-yl)phenyl] carbamate has a molecular weight of 261.24 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4,4-trifluoro-2-methylbutan-2-yl)phenyl] carbamate is sourced from PubChem (CID 67039044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).