[3-(trifluoromethyl)phenyl] carbamate

C8H6F3NO2 — CID 56614861

IUPAC[3-(trifluoromethyl)phenyl] carbamate
SMILESNC(=O)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)5-2-1-3-6(4-5)14-7(12)13/h1-4H,(H2,12,13)
InChIKeyNVXKEEBKYGADSJ-UHFFFAOYSA-N
MW205.14 g/mol
LogP2.16
Rot. Bonds1

About [3-(trifluoromethyl)phenyl] carbamate

[3-(trifluoromethyl)phenyl] carbamate (PubChem CID 56614861) has the molecular formula C8H6F3NO2 and a molecular weight of 205.14 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl] carbamate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl] carbamate
PubChem CID56614861
Molecular FormulaC8H6F3NO2
Molecular Weight205.14 g/mol
Exact Mass205.04
IUPAC Name[3-(trifluoromethyl)phenyl] carbamate
SMILESNC(=O)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)5-2-1-3-6(4-5)14-7(12)13/h1-4H,(H2,12,13)
InChIKeyNVXKEEBKYGADSJ-UHFFFAOYSA-N
XLogP2.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
[3-(trifluoromethyl)phenyl] 3,5-diaminobenzoate
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CID 57207149
[3-(trifluoromethyl)phenyl] 2-methylprop-2-enoate
CID 72524575
3-[3-(trifluoromethyl)phenoxy]propanamide
CID 55207241
4-(dimethylamino)-3-[3-(trifluoromethyl)phenoxy]but-3-en-2-one
CID 170621674
1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene
CID 67930269
[3-(trifluoromethyl)phenyl] N,N-diethylcarbamate
CID 102099488
4,5-dioxo-5-[3-(trifluoromethyl)phenoxy]pentanoic acid
CID 11565511
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
[3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate
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[3-(trifluoromethyl)phenyl] 6-bromopyridine-2-carboxylate
CID 91350693

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl] carbamate?
The IUPAC name of [3-(trifluoromethyl)phenyl] carbamate (CID 56614861) is [3-(trifluoromethyl)phenyl] carbamate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl] carbamate?
The canonical SMILES for [3-(trifluoromethyl)phenyl] carbamate is NC(=O)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl] carbamate?
The InChIKey is NVXKEEBKYGADSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-8(10,11)5-2-1-3-6(4-5)14-7(12)13/h1-4H,(H2,12,13).
What are the key properties of [3-(trifluoromethyl)phenyl] carbamate?
[3-(trifluoromethyl)phenyl] carbamate has a molecular weight of 205.14 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl] carbamate is sourced from PubChem (CID 56614861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).