(1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate

C10H17F2NO3 — CID 11107378

IUPAC(1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate
SMILESCCC(O)C(OC(=O)N(CC)CC)=C(F)F
InChIInChI=1S/C10H17F2NO3/c1-4-7(14)8(9(11)12)16-10(15)13(5-2)6-3/h7,14H,4-6H2,1-3H3
InChIKeyIDCZZYFFWNHQFH-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.34
Rot. Bonds5

About (1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate

(1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate (PubChem CID 11107378) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is (1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate
PubChem CID11107378
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name(1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate
SMILESCCC(O)C(OC(=O)N(CC)CC)=C(F)F
InChIInChI=1S/C10H17F2NO3/c1-4-7(14)8(9(11)12)16-10(15)13(5-2)6-3/h7,14H,4-6H2,1-3H3
InChIKeyIDCZZYFFWNHQFH-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate?
The IUPAC name of (1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate (CID 11107378) is (1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate.
What is the SMILES notation for (1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate?
The canonical SMILES for (1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate is CCC(O)C(OC(=O)N(CC)CC)=C(F)F.
What is the InChIKey of (1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate?
The InChIKey is IDCZZYFFWNHQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-4-7(14)8(9(11)12)16-10(15)13(5-2)6-3/h7,14H,4-6H2,1-3H3.
What are the key properties of (1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate?
(1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate has a molecular weight of 237.25 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-3-hydroxypent-1-en-2-yl) N,N-diethylcarbamate is sourced from PubChem (CID 11107378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).