2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate

C10H10F3NO4 — CID 79346339

IUPAC2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate
SMILESO=C(Nc1ccc(OC(F)F)c(F)c1)OCCO
InChIInChI=1S/C10H10F3NO4/c11-7-5-6(14-10(16)17-4-3-15)1-2-8(7)18-9(12)13/h1-2,5,9,15H,3-4H2,(H,14,16)
InChIKeyPRFITOQEQAMKJC-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.97
Rot. Bonds5

About 2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate

2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate (PubChem CID 79346339) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate
PubChem CID79346339
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate
SMILESO=C(Nc1ccc(OC(F)F)c(F)c1)OCCO
InChIInChI=1S/C10H10F3NO4/c11-7-5-6(14-10(16)17-4-3-15)1-2-8(7)18-9(12)13/h1-2,5,9,15H,3-4H2,(H,14,16)
InChIKeyPRFITOQEQAMKJC-UHFFFAOYSA-N
XLogP1.97
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
CID 119295358
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
propyl N-[3-bromo-4-(difluoromethoxy)phenyl]carbamate
CID 13305585
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
CID 47261837
2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride
CID 119734387
N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide
CID 51085552
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
2-hydroxyethyl N-(4-fluoro-3-nitrophenyl)carbamate
CID 79345647
2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
CID 79342252
2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate
CID 79346534
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide
CID 61040886

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate (CID 79346339) is 2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate is O=C(Nc1ccc(OC(F)F)c(F)c1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate?
The InChIKey is PRFITOQEQAMKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c11-7-5-6(14-10(16)17-4-3-15)1-2-8(7)18-9(12)13/h1-2,5,9,15H,3-4H2,(H,14,16).
What are the key properties of 2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate?
2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate has a molecular weight of 265.19 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate is sourced from PubChem (CID 79346339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).