1,1,1-trifluoro-2-(4-methoxycyclohexa-2,4-dien-1-yl)propan-2-ol

C10H13F3O2 — CID 138710181

IUPAC1,1,1-trifluoro-2-(4-methoxycyclohexa-2,4-dien-1-yl)propan-2-ol
SMILESCOC1=CCC(C(C)(O)C(F)(F)F)C=C1
InChIInChI=1S/C10H13F3O2/c1-9(14,10(11,12)13)7-3-5-8(15-2)6-4-7/h3,5-7,14H,4H2,1-2H3
InChIKeyXCPYPFVDPFEVPB-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.41
Rot. Bonds2

About 1,1,1-trifluoro-2-(4-methoxycyclohexa-2,4-dien-1-yl)propan-2-ol

1,1,1-trifluoro-2-(4-methoxycyclohexa-2,4-dien-1-yl)propan-2-ol (PubChem CID 138710181) has the molecular formula C10H13F3O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(4-methoxycyclohexa-2,4-dien-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(4-methoxycyclohexa-2,4-dien-1-yl)propan-2-ol
PubChem CID138710181
Molecular FormulaC10H13F3O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name1,1,1-trifluoro-2-(4-methoxycyclohexa-2,4-dien-1-yl)propan-2-ol
SMILESCOC1=CCC(C(C)(O)C(F)(F)F)C=C1
InChIInChI=1S/C10H13F3O2/c1-9(14,10(11,12)13)7-3-5-8(15-2)6-4-7/h3,5-7,14H,4H2,1-2H3
InChIKeyXCPYPFVDPFEVPB-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(4-methoxycyclohexa-2,4-dien-1-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(4-methoxycyclohexa-2,4-dien-1-yl)propan-2-ol (CID 138710181) is 1,1,1-trifluoro-2-(4-methoxycyclohexa-2,4-dien-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(4-methoxycyclohexa-2,4-dien-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(4-methoxycyclohexa-2,4-dien-1-yl)propan-2-ol is COC1=CCC(C(C)(O)C(F)(F)F)C=C1.
What is the InChIKey of 1,1,1-trifluoro-2-(4-methoxycyclohexa-2,4-dien-1-yl)propan-2-ol?
The InChIKey is XCPYPFVDPFEVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O2/c1-9(14,10(11,12)13)7-3-5-8(15-2)6-4-7/h3,5-7,14H,4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(4-methoxycyclohexa-2,4-dien-1-yl)propan-2-ol?
1,1,1-trifluoro-2-(4-methoxycyclohexa-2,4-dien-1-yl)propan-2-ol has a molecular weight of 222.21 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(4-methoxycyclohexa-2,4-dien-1-yl)propan-2-ol is sourced from PubChem (CID 138710181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).