4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol

C17H24F2O — CID 65094671

IUPAC4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol
SMILESCC(C)(C)C1CCCC(O)(c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H24F2O/c1-16(2,3)12-5-4-9-17(20,10-8-12)14-11-13(18)6-7-15(14)19/h6-7,11-12,20H,4-5,8-10H2,1-3H3
InChIKeyGGXSVIIMRRZARI-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.78
Rot. Bonds1

About 4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol

4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol (PubChem CID 65094671) has the molecular formula C17H24F2O and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol
PubChem CID65094671
Molecular FormulaC17H24F2O
Molecular Weight282.37 g/mol
Exact Mass282.18
IUPAC Name4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol
SMILESCC(C)(C)C1CCCC(O)(c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H24F2O/c1-16(2,3)12-5-4-9-17(20,10-8-12)14-11-13(18)6-7-15(14)19/h6-7,11-12,20H,4-5,8-10H2,1-3H3
InChIKeyGGXSVIIMRRZARI-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol
CID 63406827
1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756729
1-(2-fluoro-5-methylphenyl)cyclopentan-1-ol
CID 62788885
1-(2-amino-5-chloro-3-pyridinyl)-4-tert-butylcycloheptan-1-ol
CID 65095041
4-(2,5-difluorophenyl)-1-methylpiperidin-4-ol
CID 12694024
1-(2,5-difluorophenyl)-3-methylcyclobutan-1-ol
CID 103564462
1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 82770078
4-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 114852298
4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-ol
CID 65094719
1-(5-bromo-2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79743510
1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63407074
1-(5-chloro-2-fluorophenyl)cyclopentan-1-ol
CID 83384980

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol?
The IUPAC name of 4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol (CID 65094671) is 4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol?
The canonical SMILES for 4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol is CC(C)(C)C1CCCC(O)(c2cc(F)ccc2F)CC1.
What is the InChIKey of 4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol?
The InChIKey is GGXSVIIMRRZARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O/c1-16(2,3)12-5-4-9-17(20,10-8-12)14-11-13(18)6-7-15(14)19/h6-7,11-12,20H,4-5,8-10H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol?
4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol has a molecular weight of 282.37 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol is sourced from PubChem (CID 65094671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).