prop-2-ynyl N-[3-fluoro-2,2-bis(fluoromethyl)propyl]carbamate

C9H12F3NO2 — CID 13422499

IUPACprop-2-ynyl N-[3-fluoro-2,2-bis(fluoromethyl)propyl]carbamate
SMILESC#CCOC(=O)NCC(CF)(CF)CF
InChIInChI=1S/C9H12F3NO2/c1-2-3-15-8(14)13-7-9(4-10,5-11)6-12/h1H,3-7H2,(H,13,14)
InChIKeyUKOCBNSSWRYWJP-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.24
Rot. Bonds6

About prop-2-ynyl N-[3-fluoro-2,2-bis(fluoromethyl)propyl]carbamate

prop-2-ynyl N-[3-fluoro-2,2-bis(fluoromethyl)propyl]carbamate (PubChem CID 13422499) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is prop-2-ynyl N-[3-fluoro-2,2-bis(fluoromethyl)propyl]carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-[3-fluoro-2,2-bis(fluoromethyl)propyl]carbamate
PubChem CID13422499
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Nameprop-2-ynyl N-[3-fluoro-2,2-bis(fluoromethyl)propyl]carbamate
SMILESC#CCOC(=O)NCC(CF)(CF)CF
InChIInChI=1S/C9H12F3NO2/c1-2-3-15-8(14)13-7-9(4-10,5-11)6-12/h1H,3-7H2,(H,13,14)
InChIKeyUKOCBNSSWRYWJP-UHFFFAOYSA-N
XLogP1.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 58895243

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-[3-fluoro-2,2-bis(fluoromethyl)propyl]carbamate?
The IUPAC name of prop-2-ynyl N-[3-fluoro-2,2-bis(fluoromethyl)propyl]carbamate (CID 13422499) is prop-2-ynyl N-[3-fluoro-2,2-bis(fluoromethyl)propyl]carbamate.
What is the SMILES notation for prop-2-ynyl N-[3-fluoro-2,2-bis(fluoromethyl)propyl]carbamate?
The canonical SMILES for prop-2-ynyl N-[3-fluoro-2,2-bis(fluoromethyl)propyl]carbamate is C#CCOC(=O)NCC(CF)(CF)CF.
What is the InChIKey of prop-2-ynyl N-[3-fluoro-2,2-bis(fluoromethyl)propyl]carbamate?
The InChIKey is UKOCBNSSWRYWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-2-3-15-8(14)13-7-9(4-10,5-11)6-12/h1H,3-7H2,(H,13,14).
What are the key properties of prop-2-ynyl N-[3-fluoro-2,2-bis(fluoromethyl)propyl]carbamate?
prop-2-ynyl N-[3-fluoro-2,2-bis(fluoromethyl)propyl]carbamate has a molecular weight of 223.19 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-[3-fluoro-2,2-bis(fluoromethyl)propyl]carbamate is sourced from PubChem (CID 13422499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).