1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol

C7H11F3O2 — CID 139389456

IUPAC1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol
SMILESOCCC(O)C1(C(F)(F)F)CC1
InChIInChI=1S/C7H11F3O2/c8-7(9,10)6(2-3-6)5(12)1-4-11/h5,11-12H,1-4H2
InChIKeyQDWGFFCDXZFUGN-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.07
Rot. Bonds3

About 1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol

1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol (PubChem CID 139389456) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol.

Molecular Properties

Compound Name1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol
PubChem CID139389456
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol
SMILESOCCC(O)C1(C(F)(F)F)CC1
InChIInChI=1S/C7H11F3O2/c8-7(9,10)6(2-3-6)5(12)1-4-11/h5,11-12H,1-4H2
InChIKeyQDWGFFCDXZFUGN-UHFFFAOYSA-N
XLogP1.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol
CID 155043346
1-butan-2-yl-1-(trifluoromethyl)cyclopropane
CID 146393264
2-(1-methylpyrazol-3-yl)oxy-1-[1-(trifluoromethyl)cyclopropyl]ethanol
CID 134399523
1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane
CID 171746482
1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol
CID 103448224
3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-1-ol
CID 106212158
1-fluoropropane-1,3-diol
CID 91101835
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexan-1-ol
CID 139188899
3,3-dichloropropan-1-ol;2,2,2-trifluoroacetic acid
CID 87635558
1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol
CID 115808726
3-(2,2,2-trifluoroethylsulfanyl)butan-1-ol
CID 66137504
3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405539

Frequently Asked Questions

What is the IUPAC name of 1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol?
The IUPAC name of 1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol (CID 139389456) is 1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol.
What is the SMILES notation for 1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol?
The canonical SMILES for 1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol is OCCC(O)C1(C(F)(F)F)CC1.
What is the InChIKey of 1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol?
The InChIKey is QDWGFFCDXZFUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c8-7(9,10)6(2-3-6)5(12)1-4-11/h5,11-12H,1-4H2.
What are the key properties of 1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol?
1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol has a molecular weight of 184.16 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol is sourced from PubChem (CID 139389456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).