1,1,1-trifluoro-3-(6-methylidenecyclohexen-1-yl)propan-2-ol

C10H13F3O — CID 11745796

IUPAC1,1,1-trifluoro-3-(6-methylidenecyclohexen-1-yl)propan-2-ol
SMILESC=C1CCCC=C1CC(O)C(F)(F)F
InChIInChI=1S/C10H13F3O/c1-7-4-2-3-5-8(7)6-9(14)10(11,12)13/h5,9,14H,1-4,6H2
InChIKeyASZVPRNANKQKND-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.97
Rot. Bonds2

About 1,1,1-trifluoro-3-(6-methylidenecyclohexen-1-yl)propan-2-ol

1,1,1-trifluoro-3-(6-methylidenecyclohexen-1-yl)propan-2-ol (PubChem CID 11745796) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(6-methylidenecyclohexen-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(6-methylidenecyclohexen-1-yl)propan-2-ol
PubChem CID11745796
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name1,1,1-trifluoro-3-(6-methylidenecyclohexen-1-yl)propan-2-ol
SMILESC=C1CCCC=C1CC(O)C(F)(F)F
InChIInChI=1S/C10H13F3O/c1-7-4-2-3-5-8(7)6-9(14)10(11,12)13/h5,9,14H,1-4,6H2
InChIKeyASZVPRNANKQKND-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(6-methylidenecyclohexen-1-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(6-methylidenecyclohexen-1-yl)propan-2-ol (CID 11745796) is 1,1,1-trifluoro-3-(6-methylidenecyclohexen-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(6-methylidenecyclohexen-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(6-methylidenecyclohexen-1-yl)propan-2-ol is C=C1CCCC=C1CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(6-methylidenecyclohexen-1-yl)propan-2-ol?
The InChIKey is ASZVPRNANKQKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-7-4-2-3-5-8(7)6-9(14)10(11,12)13/h5,9,14H,1-4,6H2.
What are the key properties of 1,1,1-trifluoro-3-(6-methylidenecyclohexen-1-yl)propan-2-ol?
1,1,1-trifluoro-3-(6-methylidenecyclohexen-1-yl)propan-2-ol has a molecular weight of 206.21 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(6-methylidenecyclohexen-1-yl)propan-2-ol is sourced from PubChem (CID 11745796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).