3-(2,4-difluorophenyl)cyclohept-2-en-1-ol

C13H14F2O — CID 107383480

IUPAC3-(2,4-difluorophenyl)cyclohept-2-en-1-ol
SMILESOC1C=C(c2ccc(F)cc2F)CCCC1
InChIInChI=1S/C13H14F2O/c14-10-5-6-12(13(15)8-10)9-3-1-2-4-11(16)7-9/h5-8,11,16H,1-4H2
InChIKeyZIIMZWBUFFLSPD-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.28
Rot. Bonds1

About 3-(2,4-difluorophenyl)cyclohept-2-en-1-ol

3-(2,4-difluorophenyl)cyclohept-2-en-1-ol (PubChem CID 107383480) has the molecular formula C13H14F2O and a molecular weight of 224.25 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)cyclohept-2-en-1-ol.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)cyclohept-2-en-1-ol
PubChem CID107383480
Molecular FormulaC13H14F2O
Molecular Weight224.25 g/mol
Exact Mass224.10
IUPAC Name3-(2,4-difluorophenyl)cyclohept-2-en-1-ol
SMILESOC1C=C(c2ccc(F)cc2F)CCCC1
InChIInChI=1S/C13H14F2O/c14-10-5-6-12(13(15)8-10)9-3-1-2-4-11(16)7-9/h5-8,11,16H,1-4H2
InChIKeyZIIMZWBUFFLSPD-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-difluorophenyl)cyclohex-2-en-1-ol
CID 65177210
3-(2,4-difluorophenyl)cyclopent-2-en-1-amine
CID 65174225
3-(2-chloro-5-fluorophenyl)cyclopent-2-en-1-ol
CID 105395956
3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol
CID 107383366
3-(3,5-difluorophenyl)cyclohex-2-en-1-ol
CID 65177157
3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol
CID 107383485
3-(2-methoxyphenyl)cyclohept-2-en-1-ol
CID 107383616
3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol
CID 107383582
3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine
CID 107383087
3-(4-methyl-3-pyridinyl)cyclohept-2-en-1-ol
CID 107383540
[(2R)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 175232862
[(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 153410093

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)cyclohept-2-en-1-ol?
The IUPAC name of 3-(2,4-difluorophenyl)cyclohept-2-en-1-ol (CID 107383480) is 3-(2,4-difluorophenyl)cyclohept-2-en-1-ol.
What is the SMILES notation for 3-(2,4-difluorophenyl)cyclohept-2-en-1-ol?
The canonical SMILES for 3-(2,4-difluorophenyl)cyclohept-2-en-1-ol is OC1C=C(c2ccc(F)cc2F)CCCC1.
What is the InChIKey of 3-(2,4-difluorophenyl)cyclohept-2-en-1-ol?
The InChIKey is ZIIMZWBUFFLSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O/c14-10-5-6-12(13(15)8-10)9-3-1-2-4-11(16)7-9/h5-8,11,16H,1-4H2.
What are the key properties of 3-(2,4-difluorophenyl)cyclohept-2-en-1-ol?
3-(2,4-difluorophenyl)cyclohept-2-en-1-ol has a molecular weight of 224.25 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)cyclohept-2-en-1-ol is sourced from PubChem (CID 107383480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).