1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane

C6H6F6O — CID 147658691

IUPAC1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane
SMILESC=C(C)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6O/c1-3(2)13-4(5(7,8)9)6(10,11)12/h4H,1H2,2H3
InChIKeyGKXLMNJNYQNHNR-UHFFFAOYSA-N
MW208.10 g/mol
LogP3.03
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane

1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane (PubChem CID 147658691) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane
PubChem CID147658691
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane
SMILESC=C(C)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6O/c1-3(2)13-4(5(7,8)9)6(10,11)12/h4H,1H2,2H3
InChIKeyGKXLMNJNYQNHNR-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,3,3,3-hexafluoropropan-2-yl 2-iodoprop-2-enoate
CID 155054400
bis(1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate
CID 10959380
1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-difluoro-3-oxopentanoate
CID 166734215
1-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 4-O-propan-2-yl 2-methylidenebutanedioate
CID 139842361
1,1,1,2,3,3,3-heptafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;sulfuric acid
CID 158857444
[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2-methylprop-2-enoate
CID 11199384
bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2,3-bis(trimethylsilyl)butanedioate
CID 85253467
1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate
CID 174657461
1,1,1,3,3,3-hexafluoropropan-2-yl 3-methylbutanoate
CID 162592800
4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-ene
CID 139751233
1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxoacetate
CID 146341400
[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate
CID 134465608

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane (CID 147658691) is 1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane is C=C(C)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane?
The InChIKey is GKXLMNJNYQNHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O/c1-3(2)13-4(5(7,8)9)6(10,11)12/h4H,1H2,2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane?
1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane has a molecular weight of 208.10 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane is sourced from PubChem (CID 147658691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).