phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate

C10H11F2NO3 — CID 104862833

IUPACphenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate
SMILESO=C(NCC(F)(F)CO)Oc1ccccc1
InChIInChI=1S/C10H11F2NO3/c11-10(12,7-14)6-13-9(15)16-8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,13,15)
InChIKeyJXCUYFQJTZEXNP-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.40
Rot. Bonds4

About phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate

phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate (PubChem CID 104862833) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate
PubChem CID104862833
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Namephenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate
SMILESO=C(NCC(F)(F)CO)Oc1ccccc1
InChIInChI=1S/C10H11F2NO3/c11-10(12,7-14)6-13-9(15)16-8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,13,15)
InChIKeyJXCUYFQJTZEXNP-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl Methylcarbamate
CID 16034
phenyl N-(2-methylprop-2-enyl)carbamate
CID 53321889
Carbamic acid, hexyl-, phenyl ester
CID 158902
Butyl-carbamic acid 4-fluoro-phenyl ester
CID 5146471
Carbamic acid, propyl-, phenyl ester
CID 11252326
Phenyl ethenylcarbamate
CID 272597
Phenyl n-butylcarbamate
CID 97513
2-Fluorophenyl isopropylcarbamate
CID 4188379
(3,5-difluorophenyl) N-propan-2-ylcarbamate
CID 102253378
(1-Methylethyl)carbamic Acid Phenyl Ester
CID 302841
Carbamic acid, N-ethyl-, phenyl ester
CID 2802346
4-Fluorophenyl methylcarbamate
CID 3574479

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate?
The IUPAC name of phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate (CID 104862833) is phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate.
What is the SMILES notation for phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate?
The canonical SMILES for phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate is O=C(NCC(F)(F)CO)Oc1ccccc1.
What is the InChIKey of phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate?
The InChIKey is JXCUYFQJTZEXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c11-10(12,7-14)6-13-9(15)16-8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,13,15).
What are the key properties of phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate?
phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate has a molecular weight of 231.20 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate is sourced from PubChem (CID 104862833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).