1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol

C10H9Cl2FO — CID 117341493

IUPAC1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2cc(Cl)c(F)c(Cl)c2)CC1
InChIInChI=1S/C10H9Cl2FO/c11-7-3-6(4-8(12)9(7)13)5-10(14)1-2-10/h3-4,14H,1-2,5H2
InChIKeyNHPRMNFSQLWEPO-UHFFFAOYSA-N
MW235.08 g/mol
LogP3.20
Rot. Bonds2

About 1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol

1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol (PubChem CID 117341493) has the molecular formula C10H9Cl2FO and a molecular weight of 235.08 g/mol. Its IUPAC name is 1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol
PubChem CID117341493
Molecular FormulaC10H9Cl2FO
Molecular Weight235.08 g/mol
Exact Mass234.00
IUPAC Name1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2cc(Cl)c(F)c(Cl)c2)CC1
InChIInChI=1S/C10H9Cl2FO/c11-7-3-6(4-8(12)9(7)13)5-10(14)1-2-10/h3-4,14H,1-2,5H2
InChIKeyNHPRMNFSQLWEPO-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117333318
4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
CID 117341308
1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117448563
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079
1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol
CID 117400326
4-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-ol
CID 103038905
1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
CID 107883416
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117384891
4-[(3-chloro-4-fluorophenyl)methyl]azepan-4-ol
CID 103039159
1-[(5-bromo-2-chloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117448567

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol (CID 117341493) is 1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol is OC1(Cc2cc(Cl)c(F)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol?
The InChIKey is NHPRMNFSQLWEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2FO/c11-7-3-6(4-8(12)9(7)13)5-10(14)1-2-10/h3-4,14H,1-2,5H2.
What are the key properties of 1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol?
1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol has a molecular weight of 235.08 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117341493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).