1-(2,2-difluorobut-3-enyl)-4-propan-2-yloxycyclohexane

C13H22F2O — CID 170569334

IUPAC1-(2,2-difluorobut-3-enyl)-4-propan-2-yloxycyclohexane
SMILESC=CC(F)(F)CC1CCC(OC(C)C)CC1
InChIInChI=1S/C13H22F2O/c1-4-13(14,15)9-11-5-7-12(8-6-11)16-10(2)3/h4,10-12H,1,5-9H2,2-3H3
InChIKeyDSGJHTIYKXHQDJ-UHFFFAOYSA-N
MW232.31 g/mol
LogP4.18
Rot. Bonds5

About 1-(2,2-difluorobut-3-enyl)-4-propan-2-yloxycyclohexane

1-(2,2-difluorobut-3-enyl)-4-propan-2-yloxycyclohexane (PubChem CID 170569334) has the molecular formula C13H22F2O and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-(2,2-difluorobut-3-enyl)-4-propan-2-yloxycyclohexane.

Molecular Properties

Compound Name1-(2,2-difluorobut-3-enyl)-4-propan-2-yloxycyclohexane
PubChem CID170569334
Molecular FormulaC13H22F2O
Molecular Weight232.31 g/mol
Exact Mass232.16
IUPAC Name1-(2,2-difluorobut-3-enyl)-4-propan-2-yloxycyclohexane
SMILESC=CC(F)(F)CC1CCC(OC(C)C)CC1
InChIInChI=1S/C13H22F2O/c1-4-13(14,15)9-11-5-7-12(8-6-11)16-10(2)3/h4,10-12H,1,5-9H2,2-3H3
InChIKeyDSGJHTIYKXHQDJ-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yloxy-4-[2-(4-propan-2-yloxycyclohexyl)propan-2-yl]cyclohexane
CID 140623503
1-propan-2-yl-4-propan-2-yloxycyclohexane
CID 18386923
1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane
CID 118486049
1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane
CID 178085895
1-(4-propan-2-yloxycyclohexyl)ethylphosphane
CID 71124191
1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane
CID 71231425
1-butan-2-yl-4-propan-2-yloxycyclohexane
CID 23528463
1-(2,2-difluoropropyl)-4-propan-2-yloxypiperidine;ethane
CID 176693193
[3,3,3-trifluoro-2-(trifluoromethyl)propyl]cyclopropane
CID 87736977
propan-2-yloxycycloundecane
CID 91254526
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
CID 158392294
(2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine
CID 170372986

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorobut-3-enyl)-4-propan-2-yloxycyclohexane?
The IUPAC name of 1-(2,2-difluorobut-3-enyl)-4-propan-2-yloxycyclohexane (CID 170569334) is 1-(2,2-difluorobut-3-enyl)-4-propan-2-yloxycyclohexane.
What is the SMILES notation for 1-(2,2-difluorobut-3-enyl)-4-propan-2-yloxycyclohexane?
The canonical SMILES for 1-(2,2-difluorobut-3-enyl)-4-propan-2-yloxycyclohexane is C=CC(F)(F)CC1CCC(OC(C)C)CC1.
What is the InChIKey of 1-(2,2-difluorobut-3-enyl)-4-propan-2-yloxycyclohexane?
The InChIKey is DSGJHTIYKXHQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2O/c1-4-13(14,15)9-11-5-7-12(8-6-11)16-10(2)3/h4,10-12H,1,5-9H2,2-3H3.
What are the key properties of 1-(2,2-difluorobut-3-enyl)-4-propan-2-yloxycyclohexane?
1-(2,2-difluorobut-3-enyl)-4-propan-2-yloxycyclohexane has a molecular weight of 232.31 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorobut-3-enyl)-4-propan-2-yloxycyclohexane is sourced from PubChem (CID 170569334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).