4-(1-ethyl-2,2-difluorocyclopropyl)phenol

C11H12F2O — CID 151298334

IUPAC4-(1-ethyl-2,2-difluorocyclopropyl)phenol
SMILESCCC1(c2ccc(O)cc2)CC1(F)F
InChIInChI=1S/C11H12F2O/c1-2-10(7-11(10,12)13)8-3-5-9(14)6-4-8/h3-6,14H,2,7H2,1H3
InChIKeyOBWRAHJHIOEVCK-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.08
Rot. Bonds2

About 4-(1-ethyl-2,2-difluorocyclopropyl)phenol

4-(1-ethyl-2,2-difluorocyclopropyl)phenol (PubChem CID 151298334) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is 4-(1-ethyl-2,2-difluorocyclopropyl)phenol.

Molecular Properties

Compound Name4-(1-ethyl-2,2-difluorocyclopropyl)phenol
PubChem CID151298334
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name4-(1-ethyl-2,2-difluorocyclopropyl)phenol
SMILESCCC1(c2ccc(O)cc2)CC1(F)F
InChIInChI=1S/C11H12F2O/c1-2-10(7-11(10,12)13)8-3-5-9(14)6-4-8/h3-6,14H,2,7H2,1H3
InChIKeyOBWRAHJHIOEVCK-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Pentylphenol
CID 6643
Bisphenol A
CID 6623
2,6-Di-tert-butyl-4-methylphenol
CID 31404
4-tert-Butylphenol
CID 7393
4-tert-Butylcatechol
CID 7381
Hexestrol
CID 192197
4-Nonylphenol
CID 1752
2,4-Di-tert-butylphenol
CID 7311
4-Tert-octylphenol
CID 8814
3,4-Dimethylphenol
CID 7249
Bisphenol B
CID 66166
bisphenol AF
CID 73864

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-2,2-difluorocyclopropyl)phenol?
The IUPAC name of 4-(1-ethyl-2,2-difluorocyclopropyl)phenol (CID 151298334) is 4-(1-ethyl-2,2-difluorocyclopropyl)phenol.
What is the SMILES notation for 4-(1-ethyl-2,2-difluorocyclopropyl)phenol?
The canonical SMILES for 4-(1-ethyl-2,2-difluorocyclopropyl)phenol is CCC1(c2ccc(O)cc2)CC1(F)F.
What is the InChIKey of 4-(1-ethyl-2,2-difluorocyclopropyl)phenol?
The InChIKey is OBWRAHJHIOEVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-2-10(7-11(10,12)13)8-3-5-9(14)6-4-8/h3-6,14H,2,7H2,1H3.
What are the key properties of 4-(1-ethyl-2,2-difluorocyclopropyl)phenol?
4-(1-ethyl-2,2-difluorocyclopropyl)phenol has a molecular weight of 198.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-2,2-difluorocyclopropyl)phenol is sourced from PubChem (CID 151298334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).