dideuterio-[1-(trifluoromethyl)cyclopropyl]methanol

C5H7F3O — CID 139389000

IUPACdideuterio-[1-(trifluoromethyl)cyclopropyl]methanol
SMILES[2H]C([2H])(O)C1(C(F)(F)F)CC1
InChIInChI=1S/C5H7F3O/c6-5(7,8)4(3-9)1-2-4/h9H,1-3H2/i3D2
InChIKeyYYWSKSKIJXVNTH-SMZGMGDZSA-N
MW142.12 g/mol
LogP1.32
Rot. Bonds1

About dideuterio-[1-(trifluoromethyl)cyclopropyl]methanol

dideuterio-[1-(trifluoromethyl)cyclopropyl]methanol (PubChem CID 139389000) has the molecular formula C5H7F3O and a molecular weight of 142.12 g/mol. Its IUPAC name is dideuterio-[1-(trifluoromethyl)cyclopropyl]methanol.

Molecular Properties

Compound Namedideuterio-[1-(trifluoromethyl)cyclopropyl]methanol
PubChem CID139389000
Molecular FormulaC5H7F3O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Namedideuterio-[1-(trifluoromethyl)cyclopropyl]methanol
SMILES[2H]C([2H])(O)C1(C(F)(F)F)CC1
InChIInChI=1S/C5H7F3O/c6-5(7,8)4(3-9)1-2-4/h9H,1-3H2/i3D2
InChIKeyYYWSKSKIJXVNTH-SMZGMGDZSA-N
XLogP1.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dideuterio-[1-(trifluoromethyl)cyclopropyl]methanol?
The IUPAC name of dideuterio-[1-(trifluoromethyl)cyclopropyl]methanol (CID 139389000) is dideuterio-[1-(trifluoromethyl)cyclopropyl]methanol.
What is the SMILES notation for dideuterio-[1-(trifluoromethyl)cyclopropyl]methanol?
The canonical SMILES for dideuterio-[1-(trifluoromethyl)cyclopropyl]methanol is [2H]C([2H])(O)C1(C(F)(F)F)CC1.
What is the InChIKey of dideuterio-[1-(trifluoromethyl)cyclopropyl]methanol?
The InChIKey is YYWSKSKIJXVNTH-SMZGMGDZSA-N. The full InChI is InChI=1S/C5H7F3O/c6-5(7,8)4(3-9)1-2-4/h9H,1-3H2/i3D2.
What are the key properties of dideuterio-[1-(trifluoromethyl)cyclopropyl]methanol?
dideuterio-[1-(trifluoromethyl)cyclopropyl]methanol has a molecular weight of 142.12 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-[1-(trifluoromethyl)cyclopropyl]methanol is sourced from PubChem (CID 139389000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).