[1-(trifluoromethyl)cyclopropyl]methanol;1-[1-(trifluoromethyl)cyclopropyl]prop-2-en-1-ol

C12H16F6O2 — CID 161433568

IUPAC[1-(trifluoromethyl)cyclopropyl]methanol;1-[1-(trifluoromethyl)cyclopropyl]prop-2-en-1-ol
SMILESC=CC(O)C1(C(F)(F)F)CC1.OCC1(C(F)(F)F)CC1
InChIInChI=1S/C7H9F3O.C5H7F3O/c1-2-5(11)6(3-4-6)7(8,9)10;6-5(7,8)4(3-9)1-2-4/h2,5,11H,1,3-4H2;9H,1-3H2
InChIKeyVYILTXZKLZFCMO-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.20
Rot. Bonds3

About [1-(trifluoromethyl)cyclopropyl]methanol;1-[1-(trifluoromethyl)cyclopropyl]prop-2-en-1-ol

[1-(trifluoromethyl)cyclopropyl]methanol;1-[1-(trifluoromethyl)cyclopropyl]prop-2-en-1-ol (PubChem CID 161433568) has the molecular formula C12H16F6O2 and a molecular weight of 306.25 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclopropyl]methanol;1-[1-(trifluoromethyl)cyclopropyl]prop-2-en-1-ol.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclopropyl]methanol;1-[1-(trifluoromethyl)cyclopropyl]prop-2-en-1-ol
PubChem CID161433568
Molecular FormulaC12H16F6O2
Molecular Weight306.25 g/mol
Exact Mass306.11
IUPAC Name[1-(trifluoromethyl)cyclopropyl]methanol;1-[1-(trifluoromethyl)cyclopropyl]prop-2-en-1-ol
SMILESC=CC(O)C1(C(F)(F)F)CC1.OCC1(C(F)(F)F)CC1
InChIInChI=1S/C7H9F3O.C5H7F3O/c1-2-5(11)6(3-4-6)7(8,9)10;6-5(7,8)4(3-9)1-2-4/h2,5,11H,1,3-4H2;9H,1-3H2
InChIKeyVYILTXZKLZFCMO-UHFFFAOYSA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)cyclopropyl]methanol;1-[1-(trifluoromethyl)cyclopropyl]prop-2-en-1-ol?
The IUPAC name of [1-(trifluoromethyl)cyclopropyl]methanol;1-[1-(trifluoromethyl)cyclopropyl]prop-2-en-1-ol (CID 161433568) is [1-(trifluoromethyl)cyclopropyl]methanol;1-[1-(trifluoromethyl)cyclopropyl]prop-2-en-1-ol.
What is the SMILES notation for [1-(trifluoromethyl)cyclopropyl]methanol;1-[1-(trifluoromethyl)cyclopropyl]prop-2-en-1-ol?
The canonical SMILES for [1-(trifluoromethyl)cyclopropyl]methanol;1-[1-(trifluoromethyl)cyclopropyl]prop-2-en-1-ol is C=CC(O)C1(C(F)(F)F)CC1.OCC1(C(F)(F)F)CC1.
What is the InChIKey of [1-(trifluoromethyl)cyclopropyl]methanol;1-[1-(trifluoromethyl)cyclopropyl]prop-2-en-1-ol?
The InChIKey is VYILTXZKLZFCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O.C5H7F3O/c1-2-5(11)6(3-4-6)7(8,9)10;6-5(7,8)4(3-9)1-2-4/h2,5,11H,1,3-4H2;9H,1-3H2.
What are the key properties of [1-(trifluoromethyl)cyclopropyl]methanol;1-[1-(trifluoromethyl)cyclopropyl]prop-2-en-1-ol?
[1-(trifluoromethyl)cyclopropyl]methanol;1-[1-(trifluoromethyl)cyclopropyl]prop-2-en-1-ol has a molecular weight of 306.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclopropyl]methanol;1-[1-(trifluoromethyl)cyclopropyl]prop-2-en-1-ol is sourced from PubChem (CID 161433568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).