6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol

C9H7ClF2O2 — CID 117314971

IUPAC6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol
SMILESOc1c(Cl)cc(F)c(F)c1C1(O)CC1
InChIInChI=1S/C9H7ClF2O2/c10-4-3-5(11)7(12)6(8(4)13)9(14)1-2-9/h3,13-14H,1-2H2
InChIKeySDJCYJRXHJBFIS-UHFFFAOYSA-N
MW220.60 g/mol
LogP2.31
Rot. Bonds1

About 6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol

6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol (PubChem CID 117314971) has the molecular formula C9H7ClF2O2 and a molecular weight of 220.60 g/mol. Its IUPAC name is 6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol.

Molecular Properties

Compound Name6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol
PubChem CID117314971
Molecular FormulaC9H7ClF2O2
Molecular Weight220.60 g/mol
Exact Mass220.01
IUPAC Name6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol
SMILESOc1c(Cl)cc(F)c(F)c1C1(O)CC1
InChIInChI=1S/C9H7ClF2O2/c10-4-3-5(11)7(12)6(8(4)13)9(14)1-2-9/h3,13-14H,1-2H2
InChIKeySDJCYJRXHJBFIS-UHFFFAOYSA-N
XLogP2.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.60
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol
CID 117339512
6-chloro-2-fluoro-4-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84795724
4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
CID 117341308
1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 117289591
1-(4-chloro-3-fluorophenyl)cyclopropan-1-ol
CID 107993183
4-chloro-3-fluoro-2-(1-hydroxycyclopropyl)-5-methoxyphenol
CID 84795728
1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117363584
2-(2-aminoethyl)-6-chloro-3,4-difluorophenol
CID 83883525
1-(8-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)cyclopropan-1-ol
CID 117400328
2-(1-aminoethyl)-6-chloro-3,4-difluorophenol
CID 117296950
1-(5-chloro-4-fluoro-2-methylphenyl)cyclopropan-1-ol
CID 117289605
2-(5-chloro-2,3-difluoro-6-hydroxyphenyl)-2-oxoacetic acid
CID 117345701

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol?
The IUPAC name of 6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol (CID 117314971) is 6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol.
What is the SMILES notation for 6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol?
The canonical SMILES for 6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol is Oc1c(Cl)cc(F)c(F)c1C1(O)CC1.
What is the InChIKey of 6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol?
The InChIKey is SDJCYJRXHJBFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O2/c10-4-3-5(11)7(12)6(8(4)13)9(14)1-2-9/h3,13-14H,1-2H2.
What are the key properties of 6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol?
6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol has a molecular weight of 220.60 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol is sourced from PubChem (CID 117314971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).