2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol

C10H10ClF2NO — CID 117339512

IUPAC2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol
SMILESNC1(Cc2c(O)c(Cl)cc(F)c2F)CC1
InChIInChI=1S/C10H10ClF2NO/c11-6-3-7(12)8(13)5(9(6)15)4-10(14)1-2-10/h3,15H,1-2,4,14H2
InChIKeyOAVKAQLZWKUCAJ-UHFFFAOYSA-N
MW233.64 g/mol
LogP2.36
Rot. Bonds2

About 2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol

2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol (PubChem CID 117339512) has the molecular formula C10H10ClF2NO and a molecular weight of 233.64 g/mol. Its IUPAC name is 2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol.

Molecular Properties

Compound Name2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol
PubChem CID117339512
Molecular FormulaC10H10ClF2NO
Molecular Weight233.64 g/mol
Exact Mass233.04
IUPAC Name2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol
SMILESNC1(Cc2c(O)c(Cl)cc(F)c2F)CC1
InChIInChI=1S/C10H10ClF2NO/c11-6-3-7(12)8(13)5(9(6)15)4-10(14)1-2-10/h3,15H,1-2,4,14H2
InChIKeyOAVKAQLZWKUCAJ-UHFFFAOYSA-N
XLogP2.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.64
LogP ≤ 52.36
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-(2-aminoethyl)-6-chloro-3,4-difluorophenol
CID 83883525
2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol
CID 117329978
2-(4-aminobutyl)-6-chloro-3,4-difluorophenol
CID 117343886
4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
CID 117341308
6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol
CID 117314971
1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
CID 117335411
3-(5-chloro-2,3-difluoro-6-hydroxyphenyl)propanal
CID 117314985
1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
CID 117116150
1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine
CID 117310192
4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol
CID 84776486
2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol
CID 117302399
2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol
CID 117302400

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol?
The IUPAC name of 2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol (CID 117339512) is 2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol.
What is the SMILES notation for 2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol?
The canonical SMILES for 2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol is NC1(Cc2c(O)c(Cl)cc(F)c2F)CC1.
What is the InChIKey of 2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol?
The InChIKey is OAVKAQLZWKUCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO/c11-6-3-7(12)8(13)5(9(6)15)4-10(14)1-2-10/h3,15H,1-2,4,14H2.
What are the key properties of 2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol?
2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol has a molecular weight of 233.64 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol is sourced from PubChem (CID 117339512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).