4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol

C12H17F5O2 — CID 161288540

IUPAC4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol
SMILESC=CCCC(O)(CC=C)C(F)(F)CCOC(F)(F)F
InChIInChI=1S/C12H17F5O2/c1-3-5-7-10(18,6-4-2)11(13,14)8-9-19-12(15,16)17/h3-4,18H,1-2,5-9H2
InChIKeyMPJWJISBQQNGRN-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.82
Rot. Bonds9

About 4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol

4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol (PubChem CID 161288540) has the molecular formula C12H17F5O2 and a molecular weight of 288.26 g/mol. Its IUPAC name is 4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol.

Molecular Properties

Compound Name4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol
PubChem CID161288540
Molecular FormulaC12H17F5O2
Molecular Weight288.26 g/mol
Exact Mass288.11
IUPAC Name4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol
SMILESC=CCCC(O)(CC=C)C(F)(F)CCOC(F)(F)F
InChIInChI=1S/C12H17F5O2/c1-3-5-7-10(18,6-4-2)11(13,14)8-9-19-12(15,16)17/h3-4,18H,1-2,5-9H2
InChIKeyMPJWJISBQQNGRN-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane
CID 159419758
5-but-3-enoxy-5-fluoronona-1,8-diene
CID 122631410
2,2-difluorohex-5-en-1-ol
CID 150546008
1,1,1,2,3,3-hexafluorohex-5-en-2-ol
CID 23508681
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-hex-5-enoxydodecane
CID 142741277
6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene
CID 58219567
4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride
CID 174848578
2,3-dimethyl-3-pent-4-enoxybutan-2-ol
CID 175216620
3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane
CID 157231509
4-(1,1-difluoropropoxy)but-1-ene
CID 88900247
4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol
CID 88765155
3-[difluoro(3-fluoropropoxy)methyl]-3-ethenoxyhepta-1,6-diene
CID 122631413

Frequently Asked Questions

What is the IUPAC name of 4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol?
The IUPAC name of 4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol (CID 161288540) is 4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol.
What is the SMILES notation for 4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol?
The canonical SMILES for 4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol is C=CCCC(O)(CC=C)C(F)(F)CCOC(F)(F)F.
What is the InChIKey of 4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol?
The InChIKey is MPJWJISBQQNGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F5O2/c1-3-5-7-10(18,6-4-2)11(13,14)8-9-19-12(15,16)17/h3-4,18H,1-2,5-9H2.
What are the key properties of 4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol?
4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol has a molecular weight of 288.26 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-difluoro-3-(trifluoromethoxy)propyl]octa-1,7-dien-4-ol is sourced from PubChem (CID 161288540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).