4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine

C10H13BrFNO — CID 112562517

IUPAC4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(c2occc2Br)CC1
InChIInChI=1S/C10H13BrFNO/c11-8-3-6-14-9(8)10(12)4-1-7(13)2-5-10/h3,6-7H,1-2,4-5,13H2
InChIKeyRDYGBDQTPVYEFA-UHFFFAOYSA-N
MW262.12 g/mol
LogP3.11
Rot. Bonds1

About 4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine

4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine (PubChem CID 112562517) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine
PubChem CID112562517
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(c2occc2Br)CC1
InChIInChI=1S/C10H13BrFNO/c11-8-3-6-14-9(8)10(12)4-1-7(13)2-5-10/h3,6-7H,1-2,4-5,13H2
InChIKeyRDYGBDQTPVYEFA-UHFFFAOYSA-N
XLogP3.11
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine?
The IUPAC name of 4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine (CID 112562517) is 4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine?
The canonical SMILES for 4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine is NC1CCC(F)(c2occc2Br)CC1.
What is the InChIKey of 4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine?
The InChIKey is RDYGBDQTPVYEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c11-8-3-6-14-9(8)10(12)4-1-7(13)2-5-10/h3,6-7H,1-2,4-5,13H2.
What are the key properties of 4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine?
4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine has a molecular weight of 262.12 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromofuran-2-yl)-4-fluorocyclohexan-1-amine is sourced from PubChem (CID 112562517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).