(4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine

C11H9ClFNO — CID 107993178

IUPAC(4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine
SMILESNC(c1ccc(Cl)c(F)c1)c1ccco1
InChIInChI=1S/C11H9ClFNO/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h1-6,11H,14H2
InChIKeyURLFSDWMZAGHKE-UHFFFAOYSA-N
MW225.65 g/mol
LogP3.12
Rot. Bonds2

About (4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine

(4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine (PubChem CID 107993178) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine
PubChem CID107993178
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC Name(4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine
SMILESNC(c1ccc(Cl)c(F)c1)c1ccco1
InChIInChI=1S/C11H9ClFNO/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h1-6,11H,14H2
InChIKeyURLFSDWMZAGHKE-UHFFFAOYSA-N
XLogP3.12
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-chlorophenyl)-(furan-2-yl)methanamine
CID 115566693
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
(5-bromofuran-2-yl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998826
(S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 71165432
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(S)-(4-chloro-3-fluorophenyl)-(1,3,4-oxadiazol-2-yl)methanamine
CID 96909136
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine
CID 107998798
furan-2-yl-(2,4,5-trifluorophenyl)methanamine
CID 103301909
(4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
CID 107995408

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine (CID 107993178) is (4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine is NC(c1ccc(Cl)c(F)c1)c1ccco1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine?
The InChIKey is URLFSDWMZAGHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h1-6,11H,14H2.
What are the key properties of (4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine?
(4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine has a molecular weight of 225.65 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine is sourced from PubChem (CID 107993178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).