(1-but-1-en-2-yl-2,2-difluorocyclopropyl)methanol

C8H12F2O — CID 166686930

IUPAC(1-but-1-en-2-yl-2,2-difluorocyclopropyl)methanol
SMILESC=C(CC)C1(CO)CC1(F)F
InChIInChI=1S/C8H12F2O/c1-3-6(2)7(5-11)4-8(7,9)10/h11H,2-5H2,1H3
InChIKeyFDKNSNHYFLSCBZ-UHFFFAOYSA-N
MW162.18 g/mol
LogP1.97
Rot. Bonds3

About (1-but-1-en-2-yl-2,2-difluorocyclopropyl)methanol

(1-but-1-en-2-yl-2,2-difluorocyclopropyl)methanol (PubChem CID 166686930) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is (1-but-1-en-2-yl-2,2-difluorocyclopropyl)methanol.

Molecular Properties

Compound Name(1-but-1-en-2-yl-2,2-difluorocyclopropyl)methanol
PubChem CID166686930
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(1-but-1-en-2-yl-2,2-difluorocyclopropyl)methanol
SMILESC=C(CC)C1(CO)CC1(F)F
InChIInChI=1S/C8H12F2O/c1-3-6(2)7(5-11)4-8(7,9)10/h11H,2-5H2,1H3
InChIKeyFDKNSNHYFLSCBZ-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-but-1-en-2-yl-2,2-difluorocyclopropyl)methanol?
The IUPAC name of (1-but-1-en-2-yl-2,2-difluorocyclopropyl)methanol (CID 166686930) is (1-but-1-en-2-yl-2,2-difluorocyclopropyl)methanol.
What is the SMILES notation for (1-but-1-en-2-yl-2,2-difluorocyclopropyl)methanol?
The canonical SMILES for (1-but-1-en-2-yl-2,2-difluorocyclopropyl)methanol is C=C(CC)C1(CO)CC1(F)F.
What is the InChIKey of (1-but-1-en-2-yl-2,2-difluorocyclopropyl)methanol?
The InChIKey is FDKNSNHYFLSCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-3-6(2)7(5-11)4-8(7,9)10/h11H,2-5H2,1H3.
What are the key properties of (1-but-1-en-2-yl-2,2-difluorocyclopropyl)methanol?
(1-but-1-en-2-yl-2,2-difluorocyclopropyl)methanol has a molecular weight of 162.18 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-1-en-2-yl-2,2-difluorocyclopropyl)methanol is sourced from PubChem (CID 166686930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).