naphthalen-2-yl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate

C16H13F6NO2 — CID 1249103

IUPACnaphthalen-2-yl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate
SMILESCCC(NC(=O)Oc1ccc2ccccc2c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H13F6NO2/c1-2-14(15(17,18)19,16(20,21)22)23-13(24)25-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H,23,24)
InChIKeyDTCMJFJLADVFGZ-UHFFFAOYSA-N
MW365.27 g/mol
LogP5.20
Rot. Bonds3

About naphthalen-2-yl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate

naphthalen-2-yl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate (PubChem CID 1249103) has the molecular formula C16H13F6NO2 and a molecular weight of 365.27 g/mol. Its IUPAC name is naphthalen-2-yl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate.

Molecular Properties

Compound Namenaphthalen-2-yl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate
PubChem CID1249103
Molecular FormulaC16H13F6NO2
Molecular Weight365.27 g/mol
Exact Mass365.09
IUPAC Namenaphthalen-2-yl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate
SMILESCCC(NC(=O)Oc1ccc2ccccc2c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H13F6NO2/c1-2-14(15(17,18)19,16(20,21)22)23-13(24)25-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H,23,24)
InChIKeyDTCMJFJLADVFGZ-UHFFFAOYSA-N
XLogP5.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.27
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

beta-Carbaryl
CID 77710
Naphthalen-2-yl cyclohexylcarbamate
CID 306585
2-Naphthyl N-tert-butylcarbamate
CID 307295
1-Naphthyl N-propylcarbamate
CID 135025
1-Naphthyl butylcarbamate
CID 95147
Carbamic acid, ethyl-, 1-naphthalenyl ester
CID 146476
2,3,6-Trimethylphenyl (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
CID 3745854
(3,5-diphenylphenyl) N-tert-butylcarbamate
CID 44572208
Carbamic acid, (1-methylethyl)-, 1-naphthalenyl ester
CID 186842
Carbamic acid, hexyl-, 1-naphthalenyl ester
CID 187470
2-Naphthyl carbamate
CID 588975
4-(1,1,3,3-Tetramethylbutyl)phenyl 2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethylcarbamate
CID 585036

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate?
The IUPAC name of naphthalen-2-yl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate (CID 1249103) is naphthalen-2-yl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate.
What is the SMILES notation for naphthalen-2-yl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate?
The canonical SMILES for naphthalen-2-yl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate is CCC(NC(=O)Oc1ccc2ccccc2c1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of naphthalen-2-yl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate?
The InChIKey is DTCMJFJLADVFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6NO2/c1-2-14(15(17,18)19,16(20,21)22)23-13(24)25-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3,(H,23,24).
What are the key properties of naphthalen-2-yl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate?
naphthalen-2-yl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate has a molecular weight of 365.27 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate is sourced from PubChem (CID 1249103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).