[4-(2,2,3,3-tetrafluoropropoxy)phenyl] carbamate

C10H9F4NO3 — CID 18703589

IUPAC[4-(2,2,3,3-tetrafluoropropoxy)phenyl] carbamate
SMILESNC(=O)Oc1ccc(OCC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H9F4NO3/c11-8(12)10(13,14)5-17-6-1-3-7(4-2-6)18-9(15)16/h1-4,8H,5H2,(H2,15,16)
InChIKeyCTILMELZQRYLLX-UHFFFAOYSA-N
MW267.18 g/mol
LogP2.42
Rot. Bonds5

About [4-(2,2,3,3-tetrafluoropropoxy)phenyl] carbamate

[4-(2,2,3,3-tetrafluoropropoxy)phenyl] carbamate (PubChem CID 18703589) has the molecular formula C10H9F4NO3 and a molecular weight of 267.18 g/mol. Its IUPAC name is [4-(2,2,3,3-tetrafluoropropoxy)phenyl] carbamate.

Molecular Properties

Compound Name[4-(2,2,3,3-tetrafluoropropoxy)phenyl] carbamate
PubChem CID18703589
Molecular FormulaC10H9F4NO3
Molecular Weight267.18 g/mol
Exact Mass267.05
IUPAC Name[4-(2,2,3,3-tetrafluoropropoxy)phenyl] carbamate
SMILESNC(=O)Oc1ccc(OCC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H9F4NO3/c11-8(12)10(13,14)5-17-6-1-3-7(4-2-6)18-9(15)16/h1-4,8H,5H2,(H2,15,16)
InChIKeyCTILMELZQRYLLX-UHFFFAOYSA-N
XLogP2.42
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-Bis(2,2,2-trifluoroethoxy)benzene
CID 737156
(E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine
CID 42623611
N-Methyl-4-ethoxyphenylcarbamate
CID 10081362
4-Ethoxyphenyl acetate
CID 20248809
Acetic acid, trifluoro-, p-methoxyphenyl ester
CID 521758
1-Methoxy-4-(2,2,2-trifluoroethoxy)benzene
CID 12647496
2-Propanol, 1-(p-methoxyphenoxy)-3-(2-propynyloxy)-, carbamate
CID 204380
2-Propanol, 1-(4-fluorophenoxy)-3-(2-propynyloxy)-, carbamate
CID 204381
1,4-Bis(2-fluoroethoxy)benzene
CID 2172755
2-(4-Phenoxyphenoxy)ethyl carbamate
CID 18752386
4-Hydroxyphenol bis(trifluoroacetate)
CID 550596
1,3-Propanediol, 2-phenoxy-, dicarbamate
CID 213003

Frequently Asked Questions

What is the IUPAC name of [4-(2,2,3,3-tetrafluoropropoxy)phenyl] carbamate?
The IUPAC name of [4-(2,2,3,3-tetrafluoropropoxy)phenyl] carbamate (CID 18703589) is [4-(2,2,3,3-tetrafluoropropoxy)phenyl] carbamate.
What is the SMILES notation for [4-(2,2,3,3-tetrafluoropropoxy)phenyl] carbamate?
The canonical SMILES for [4-(2,2,3,3-tetrafluoropropoxy)phenyl] carbamate is NC(=O)Oc1ccc(OCC(F)(F)C(F)F)cc1.
What is the InChIKey of [4-(2,2,3,3-tetrafluoropropoxy)phenyl] carbamate?
The InChIKey is CTILMELZQRYLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO3/c11-8(12)10(13,14)5-17-6-1-3-7(4-2-6)18-9(15)16/h1-4,8H,5H2,(H2,15,16).
What are the key properties of [4-(2,2,3,3-tetrafluoropropoxy)phenyl] carbamate?
[4-(2,2,3,3-tetrafluoropropoxy)phenyl] carbamate has a molecular weight of 267.18 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,3,3-tetrafluoropropoxy)phenyl] carbamate is sourced from PubChem (CID 18703589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).