1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine

C10H13F2N — CID 142989698

IUPAC1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine
SMILESCN.Fc1ccc(C2(F)CC2)cc1
InChIInChI=1S/C9H8F2.CH5N/c10-8-3-1-7(2-4-8)9(11)5-6-9;1-2/h1-4H,5-6H2;2H2,1H3
InChIKeyXCXKFONMBWQSQJ-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.36
Rot. Bonds1

About 1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine

1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine (PubChem CID 142989698) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine.

Molecular Properties

Compound Name1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine
PubChem CID142989698
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine
SMILESCN.Fc1ccc(C2(F)CC2)cc1
InChIInChI=1S/C9H8F2.CH5N/c10-8-3-1-7(2-4-8)9(11)5-6-9;1-2/h1-4H,5-6H2;2H2,1H3
InChIKeyXCXKFONMBWQSQJ-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine?
The IUPAC name of 1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine (CID 142989698) is 1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine.
What is the SMILES notation for 1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine?
The canonical SMILES for 1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine is CN.Fc1ccc(C2(F)CC2)cc1.
What is the InChIKey of 1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine?
The InChIKey is XCXKFONMBWQSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2.CH5N/c10-8-3-1-7(2-4-8)9(11)5-6-9;1-2/h1-4H,5-6H2;2H2,1H3.
What are the key properties of 1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine?
1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine has a molecular weight of 185.22 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(1-fluorocyclopropyl)benzene;methanamine is sourced from PubChem (CID 142989698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).