1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-ol

C9H12F6O — CID 103312528

IUPAC1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-ol
SMILESC=CCCCC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6O/c1-2-3-4-5-6(16)7(8(10,11)12)9(13,14)15/h2,6-7,16H,1,3-5H2
InChIKeyPWQMOAKVCYQISQ-UHFFFAOYSA-N
MW250.18 g/mol
LogP3.44
Rot. Bonds5

About 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-ol

1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-ol (PubChem CID 103312528) has the molecular formula C9H12F6O and a molecular weight of 250.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-ol
PubChem CID103312528
Molecular FormulaC9H12F6O
Molecular Weight250.18 g/mol
Exact Mass250.08
IUPAC Name1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-ol
SMILESC=CCCCC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6O/c1-2-3-4-5-6(16)7(8(10,11)12)9(13,14)15/h2,6-7,16H,1,3-5H2
InChIKeyPWQMOAKVCYQISQ-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoro-3-(2,3,3-trifluoroprop-2-enyl)hept-6-en-2-ol
CID 57588703
4-Ethenyl-1,1,1,6,7,7-hexafluorohept-6-en-2-ol
CID 57588710
1,1,1-Trifluoro-4-(2,3,3-trifluoroprop-2-enyl)oct-7-en-2-ol
CID 57588714
1,1,1-Trifluoro-2-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enyl)oct-7-en-2-ol
CID 57588717
(2S)-1-(3-ethenyl-2,2-difluorocyclopropyl)propan-2-ol
CID 59721596
Molecular fluorine;1,2,2-trifluorooct-7-en-4-ol
CID 91444562
8-Fluoro-5-(2-methylpropyl)oct-7-en-4-ol
CID 123929743
1-(3,3-Difluorocyclobutyl)but-3-en-1-ol
CID 130360426
(Z)-5,5-difluoro-2-methylnon-7-en-4-ol
CID 138747780
4,4-Difluoro-5-methylhept-6-en-3-ol;hydrochloride
CID 141776013
3,3-Difluoro-6-methylocta-1,7-dien-4-ol
CID 142292357
4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pentane-1,2-diol;4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-1-ene
CID 162201778

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-ol?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-ol (CID 103312528) is 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-ol is C=CCCCC(O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-ol?
The InChIKey is PWQMOAKVCYQISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O/c1-2-3-4-5-6(16)7(8(10,11)12)9(13,14)15/h2,6-7,16H,1,3-5H2.
What are the key properties of 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-ol?
1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-ol has a molecular weight of 250.18 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-ol is sourced from PubChem (CID 103312528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).