(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanone

C11H11BrF2OS — CID 105115986

IUPAC(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanone
SMILESO=C(c1cscc1Br)C1CCC(F)(F)CC1
InChIInChI=1S/C11H11BrF2OS/c12-9-6-16-5-8(9)10(15)7-1-3-11(13,14)4-2-7/h5-7H,1-4H2
InChIKeyCPRIUAMPMKKHJU-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.52
Rot. Bonds2

About (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanone

(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanone (PubChem CID 105115986) has the molecular formula C11H11BrF2OS and a molecular weight of 309.18 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanone
PubChem CID105115986
Molecular FormulaC11H11BrF2OS
Molecular Weight309.18 g/mol
Exact Mass307.97
IUPAC Name(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanone
SMILESO=C(c1cscc1Br)C1CCC(F)(F)CC1
InChIInChI=1S/C11H11BrF2OS/c12-9-6-16-5-8(9)10(15)7-1-3-11(13,14)4-2-7/h5-7H,1-4H2
InChIKeyCPRIUAMPMKKHJU-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanone?
The IUPAC name of (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanone (CID 105115986) is (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanone is O=C(c1cscc1Br)C1CCC(F)(F)CC1.
What is the InChIKey of (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanone?
The InChIKey is CPRIUAMPMKKHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2OS/c12-9-6-16-5-8(9)10(15)7-1-3-11(13,14)4-2-7/h5-7H,1-4H2.
What are the key properties of (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanone?
(4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanone has a molecular weight of 309.18 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanone is sourced from PubChem (CID 105115986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).