(4-bromocyclohex-3-en-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone

C11H14BrF2NO — CID 129104833

IUPAC(4-bromocyclohex-3-en-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESO=C(C1CC=C(Br)CC1)N1CCC(F)(F)C1
InChIInChI=1S/C11H14BrF2NO/c12-9-3-1-8(2-4-9)10(16)15-6-5-11(13,14)7-15/h3,8H,1-2,4-7H2
InChIKeyKEQYRNKCSVVANY-UHFFFAOYSA-N
MW294.14 g/mol
LogP2.93
Rot. Bonds1

About (4-bromocyclohex-3-en-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone

(4-bromocyclohex-3-en-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 129104833) has the molecular formula C11H14BrF2NO and a molecular weight of 294.14 g/mol. Its IUPAC name is (4-bromocyclohex-3-en-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromocyclohex-3-en-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID129104833
Molecular FormulaC11H14BrF2NO
Molecular Weight294.14 g/mol
Exact Mass293.02
IUPAC Name(4-bromocyclohex-3-en-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESO=C(C1CC=C(Br)CC1)N1CCC(F)(F)C1
InChIInChI=1S/C11H14BrF2NO/c12-9-3-1-8(2-4-9)10(16)15-6-5-11(13,14)7-15/h3,8H,1-2,4-7H2
InChIKeyKEQYRNKCSVVANY-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromocyclohex-3-en-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of (4-bromocyclohex-3-en-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone (CID 129104833) is (4-bromocyclohex-3-en-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-bromocyclohex-3-en-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for (4-bromocyclohex-3-en-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone is O=C(C1CC=C(Br)CC1)N1CCC(F)(F)C1.
What is the InChIKey of (4-bromocyclohex-3-en-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The InChIKey is KEQYRNKCSVVANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO/c12-9-3-1-8(2-4-9)10(16)15-6-5-11(13,14)7-15/h3,8H,1-2,4-7H2.
What are the key properties of (4-bromocyclohex-3-en-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone?
(4-bromocyclohex-3-en-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 294.14 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromocyclohex-3-en-1-yl)-(3,3-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 129104833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).